2-chloro-4,5-dimethylpyridine-3-carbonitrile

2-chloro-4,5-dimethylpyridine-3-carbonitrile

CAS: 125731-30-8

Formula: C8H7ClN2

SMILES: CC1=CN=C(Cl)C(C#N)=C1C

IUPAC: 2-chloro-4,5-dimethylpyridine-3-carbonitrile

InChI: InChI=1S/C8H7ClN2/c1-5-4-11-8(9)7(3-10)6(5)2/h4H,1-2H3

Composition: C (57.67%), H (4.24%), Cl (21.28%), N (16.81%)

Molar Mass: 166.61

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	166.0297759
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QGDVPDPHUNZVER-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.57
Topological Polar Surface Area	36.68
Polarizability	16.75
Ring Count	1
Rotatable Bond Count	0

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