6-acetylpyridine-2-carbonitrile

6-acetylpyridine-2-carbonitrile

CAS: 159307-02-5

Formula: C8H6N2O

SMILES: CC(=O)C1=NC(=CC=C1)C#N

IUPAC: 6-acetylpyridine-2-carbonitrile

InChI: InChI=1S/C8H6N2O/c1-6(11)8-4-2-3-7(5-9)10-8/h2-4H,1H3

Composition: C (65.75%), H (4.14%), N (19.17%), O (10.95%)

Molar Mass: 146.149

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	146.048012821
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LECIQDJPKUDAHR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.28
Topological Polar Surface Area	53.75
Polarizability	15.01
Ring Count	1
Rotatable Bond Count	1

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