2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetonitrile

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetonitrile

CAS: 157764-10-8

Formula: C8H4ClF3N2

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

IUPAC: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetonitrile

InChI: InChI=1S/C8H4ClF3N2/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13/h3-4H,1H2

Composition: C (43.56%), H (1.83%), Cl (16.07%), F (25.84%), N (12.70%)

Molar Mass: 220.58

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.0015103
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QSFVBRUYPUNIPH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.59
Topological Polar Surface Area	36.68
Polarizability	16.26
Ring Count	1
Rotatable Bond Count	2

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