5-(chloromethyl)pyridine-3-carbonitrile hydrochloride

5-(chloromethyl)pyridine-3-carbonitrile hydrochloride

CAS: 189936-27-4

Formula: C7H6Cl2N2

SMILES: Cl.ClCC1=CN=CC(=C1)C#N

IUPAC: 5-(chloromethyl)pyridine-3-carbonitrile hydrochloride

InChI: InChI=1S/C7H5ClN2.ClH/c8-2-6-1-7(3-9)5-10-4-6;/h1,4-5H,2H2;1H

Composition: C (44.48%), H (3.20%), Cl (37.51%), N (14.82%)

Molar Mass: 189.04

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.9908036
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JBHXSCWBUYDTDR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.49
Topological Polar Surface Area	36.68
Polarizability	14.94
Ring Count	1
Rotatable Bond Count	1

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