3-chloro-5-nitropyridine-2-carbonitrile

3-chloro-5-nitropyridine-2-carbonitrile

CAS: 488713-30-0

Formula: C6H2ClN3O2

SMILES: [O-][N+](=O)C1=CN=C(C#N)C(Cl)=C1

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

InChI: InChI=1S/C6H2ClN3O2/c7-5-1-4(10(11)12)3-9-6(5)2-8/h1,3H

Composition: C (39.26%), H (1.10%), Cl (19.31%), N (22.89%), O (17.43%)

Molar Mass: 183.55

Atom Count: 14

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.983554
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ZPYPZNSCPXMRDZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.38
Topological Polar Surface Area	79.82
Polarizability	15.24
Ring Count	1
Rotatable Bond Count	1

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