2-Amino-5-bromopyridine-4-carboxylic acid

Formula:C6H5N2O2Br CAS:1000339-23-0 ChemrytIQ

PropertyValue
Casrn1000339-23-0
MolName2-Amino-5-bromopyridine-4-carboxylic acid
MolecularFormulaC6H5N2O2Br
SmilesNc(nc1)cc(C(O)=O)c1Br
InChIInChI=1S/C6H5BrN2O2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H2,8,9)(H,10,11)
InChIKJJJKKHUIIDAXKW-UHFFFAOYSA-N
CanonicalSyTyLFy67affa0f1d9a7ce4
TotalMolweight217.022
Molweight217.022
MonoisotopicMass215.953439
CLogP0.3727
CLogS-2.269
H Acceptors4
H Donors2
TotalSurfaceArea123.27
Relative PSA0.42492
PolarSurfaceArea76.21
Druglikeness-3.3311
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.54545
Molecula Flexibility0.28374
Molecular Complexity0.76573
Fragments1
Non HAtoms11
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms1
Aromatic Nitrogens1
BasicNitrogens1
AcidicOxygens1
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
10001-30-6nonenonenoneC17H14O4282.294-0.8408 ChemrytIQ
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952 ChemrytIQ
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285 ChemrytIQ
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651 ChemrytIQ
10001-51-1nonenonenoneC9H18N2O170.2555.9677 ChemrytIQ
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761 ChemrytIQ
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1 ChemrytIQ
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436 ChemrytIQ
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
1000-05-1nonenonehighC8H26O3Si4282.635-83.299 ChemrytIQ
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509 ChemrytIQ
100-22-1highhighnoneC10H16N2164.2510.40939 ChemrytIQ
100-14-1highhighlowC7H6NO2Cl171.583-7.5061 ChemrytIQ
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592 ChemrytIQ
100-27-6lownonenoneC8H9NO3167.163-9.2735 ChemrytIQ
100-97-0highhighhighC6H12N4140.1891.5849 ChemrytIQ
1000-28-8nonenonenoneC6H3OF11300.067-44.343 ChemrytIQ
100-10-7nonehighhighC9H11NO149.192-1.8715 ChemrytIQ
100-49-2nonenonenoneC7H14O114.187-9.3679 ChemrytIQ
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793 ChemrytIQ
1000018-48-3nonenonenoneC12H15NO4S269.321.5148 ChemrytIQ
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
100-41-4highhighhighC8H10106.167-2.68 ChemrytIQ
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762 ChemrytIQ
100-01-6nonenonenoneC6H6N2O2138.126-7.2389 ChemrytIQ
100-47-0highnonehighC7H5N103.124-6.0498 ChemrytIQ
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749 ChemrytIQ
100004-78-2nonenonenoneC16H11NO2249.268-1.5746 ChemrytIQ
100-71-0nonenonenoneC7H9N107.155-2.2725 ChemrytIQ
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689 ChemrytIQ
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926 ChemrytIQ
100010-02-4nonenonenoneC14H23NO221.343-6.1109 ChemrytIQ
100-82-3nonenonenoneC7H8NF125.146-3.4112 ChemrytIQ
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197 ChemrytIQ
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371 ChemrytIQ
100011-01-6nonenonenoneC9H18O2158.24-2.3462 ChemrytIQ
1000-40-4highnonelowC10H24S2Sn327.143-7.0269 ChemrytIQ
100-57-2highlowlowC6H6OHg294.703-2.3891 ChemrytIQ
100016-58-8nonehighnoneC19H19NO5341.3621.8385 ChemrytIQ
100-26-5nonenonenoneC7H5NO4167.12-1.5746 ChemrytIQ
100-90-3nonenonenoneC14H16N4O3S320.3724.7301 ChemrytIQ
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608 ChemrytIQ
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216 ChemrytIQ
100033-28-1lownonehighC6H9N7179.186-2.3035 ChemrytIQ
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282 ChemrytIQ
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874 ChemrytIQ
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051 ChemrytIQ
100-09-4nonenonenoneC8H8O3152.149-1.597 ChemrytIQ
10001-13-5nonenonehighC12H22N2O210.323.9217 ChemrytIQ
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81 ChemrytIQ
1000-78-8highlownoneC11H24N2184.326-10.254 ChemrytIQ
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133 ChemrytIQ
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575 ChemrytIQ
1000-84-6nonenonehighC4H9NO87.1215-6.3779 ChemrytIQ
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78 ChemrytIQ
100-74-3highnonehighC6H13NO115.1753.7593 ChemrytIQ
100-34-5nonenonenoneCl.C6H5N2105.12-4.365 ChemrytIQ
1000-83-5lowhighhighC2H6N2OS106.149-2.264 ChemrytIQ
100004-95-3nonenonenoneC13H11NO3229.234-1.3547 ChemrytIQ
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141 ChemrytIQ