Chem 3 1236 Tetrahydropyridin 4 Ylpyridine Dsrpl

Compound 168
  CheckMol                        TMF02:r0:m0
MF=C10H12N2 MW=160.22
 12 13  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2940    0.7598   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4958   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5880    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2821   -2.2318   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8819    0.7716   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5761   -1.4839   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1759    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8701    2.2912   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4699    0.7835   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1641    3.0510   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4580    2.3031   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2 02  0  1  0  0
  1  3 01  0  1  0  0
  2  4 01  0  1  0  0
  3  5 02  0  1  0  0
  4  6  1  0  0  0  0
  4  7 02  0  1  0  0
  6  8  2  0  1  0  0
  6  9  1  0  1  0  0
  8 10  1  0  1  0  0
  9 11  1  0  1  0  0
 10 12  1  0  1  0  0
  5  7 01  0  1  0  0
 11 12  1  0  1  0  0
M  END

3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine

₹ 0.00 0.00

Chemical Name - 3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine
Mol Weight - 160.219
Smiles - C1C(c2cccnc2)=CCNC1

Property Name	Property Value
Mol Name	3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine
Molweight	160.219
Monoisotopic Mass	160.100048
Clogp	0.7234
Clogs	-1.059
H Acceptors	2
H Donors	1
Total Surface Area	135.97
Relative Psa	0.16496
Polar Surface Area	24.92
Druglikeness	0.87144
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.41885
Molecular Complexity	0.67674
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Amines	1
Alkyl Amines	1
Aromatic Nitrogens	1
Basic Nitrogens	1
Smiles	C1C(c2cccnc2)=CCNC1
InChIKey	InChI=1S/C10H12N2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h1-3,5,8,11H,4,6-7H2
InChI	IFBCFXJHNJUIRK-UHFFFAOYSA-N

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1 - 3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine
2 - 3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine

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3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine