4-chloro-2-methoxypyridine-3-carbonitrile

4-chloro-2-methoxypyridine-3-carbonitrile

CAS: 1008451-56-6

Formula: C7H5ClN2O

SMILES: COC1=C(C#N)C(Cl)=CC=N1

IUPAC: 4-chloro-2-methoxypyridine-3-carbonitrile

InChI: InChI=1S/C7H5ClN2O/c1-11-7-5(4-9)6(8)2-3-10-7/h2-3H,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	HIDUGVUFJNHNBR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.2
Topological Polar Surface Area	45.91
Polarizability	15.73
Ring Count	1
Rotatable Bond Count	1

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95%	<4 Days	1008451-56-6		$105.80-$2,213.75$105.80$177.10$495.65$2,213.75