4-methyl-3-nitropyridine-2-carbonitrile

4-methyl-3-nitropyridine-2-carbonitrile

CAS: 1378825-44-5

Formula: C7H5N3O2

SMILES: CC1=C(C(=NC=C1)C#N)[N+]([O-])=O

IUPAC: 4-methyl-3-nitropyridine-2-carbonitrile

InChI: InChI=1S/C7H5N3O2/c1-5-2-3-9-6(4-8)7(5)10(11)12/h2-3H,1H3

Composition: C (51.54%), H (3.09%), N (25.76%), O (19.61%)

Molar Mass: 163.136

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	163.038176413
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	KDEKTOZYMJTMNS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.61
Topological Polar Surface Area	79.82
Polarizability	14.98
Ring Count	1
Rotatable Bond Count	1

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