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5-acetyl-2-chloro-6-methylpyridine-3-carbonitrile

5-acetyl-2-chloro-6-methylpyridine-3-carbonitrile

CAS: 121348-15-0

Formula: C9H7ClN2O

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

IUPAC: 5-acetyl-2-chloro-6-methylpyridine-3-carbonitrile

InChI: InChI=1S/C9H7ClN2O/c1-5-8(6(2)13)3-7(4-11)9(10)12-5/h3H,1-2H3

Composition: C (55.54%), H (3.63%), Cl (18.22%), N (14.39%), O (8.22%)

Molar Mass: 194.62

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 194.0246906
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BPRSEFHIDZKEAD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.48
Topological Polar Surface Area 53.75
Polarizability 18.76
Ring Count 1
Rotatable Bond Count 1

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