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6-chloro-3-(trifluoromethyl)pyridine-2-carbonitrile

6-chloro-3-(trifluoromethyl)pyridine-2-carbonitrile

CAS: 401590-41-8

Formula: C7H2ClF3N2

SMILES: FC(F)(F)C1=CC=C(Cl)N=C1C#N

IUPAC: 6-chloro-3-(trifluoromethyl)pyridine-2-carbonitrile

InChI: InChI=1S/C7H2ClF3N2/c8-6-2-1-4(7(9,10)11)5(3-12)13-6/h1-2H

Composition: C (40.70%), H (0.98%), Cl (17.16%), F (27.59%), N (13.56%)

Molar Mass: 206.55

Atom Count: 15

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 205.9858603
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SQTMSBJBTATQID-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.09
Topological Polar Surface Area 36.68
Polarizability 14.66
Ring Count 1
Rotatable Bond Count 1

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