5-chloro-2-methoxypyridine-3-carbonitrile

5-chloro-2-methoxypyridine-3-carbonitrile

CAS: 1256812-94-8

Formula: C7H5ClN2O

SMILES: COC1=NC=C(Cl)C=C1C#N

IUPAC: 5-chloro-2-methoxypyridine-3-carbonitrile

InChI: InChI=1S/C7H5ClN2O/c1-11-7-5(3-9)2-6(8)4-10-7/h2,4H,1H3

Composition: C (49.87%), H (2.99%), Cl (21.03%), N (16.62%), O (9.49%)

Molar Mass: 168.58

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.0090405
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RCRPIZDGOGUMSB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.2
Topological Polar Surface Area	45.91
Polarizability	15.72
Ring Count	1
Rotatable Bond Count	1

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