2-amino-4-(3-chlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile

2-amino-4-(3-chlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile

CAS: 338794-18-6

Formula: C16H16ClN3

SMILES: CC(C)CC1=CC(C2=CC=CC(Cl)=C2)=C(C#N)C(N)=N1

IUPAC: 2-amino-4-(3-chlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile

InChI: InChI=1S/C16H16ClN3/c1-10(2)6-13-8-14(15(9-18)16(19)20-13)11-4-3-5-12(17)7-11/h3-5,7-8,10H,6H2,1-2H3,(H2,19,20)

Composition: C (67.25%), H (5.64%), Cl (12.40%), N (14.70%)

Molar Mass: 285.78

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	285.1032752
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HFXZKCBMRVJCJR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.95
Topological Polar Surface Area	62.7
Polarizability	32.52
Ring Count	2
Rotatable Bond Count	3

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