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2,6-dichloro-4-(2-methylphenyl)pyridine-3-carbonitrile

2,6-dichloro-4-(2-methylphenyl)pyridine-3-carbonitrile

CAS: 873443-66-4

Formula: C13H8Cl2N2

SMILES: CC1=CC=CC=C1C1=CC(Cl)=NC(Cl)=C1C#N

IUPAC: 2,6-dichloro-4-(2-methylphenyl)pyridine-3-carbonitrile

InChI: InChI=1S/C13H8Cl2N2/c1-8-4-2-3-5-9(8)10-6-12(14)17-13(15)11(10)7-16/h2-6H,1H3

Composition: C (59.34%), H (3.06%), Cl (26.95%), N (10.65%)

Molar Mass: 263.12

Atom Count: 25

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 262.0064537
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey HDFNZYMPHSNNQC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.53
Topological Polar Surface Area 36.68
Polarizability 27.85
Ring Count 2
Rotatable Bond Count 1

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