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3-chloro-2-fluoro-5-(trifluoromethyl)pyridine

3-chloro-2-fluoro-5-(trifluoromethyl)pyridine

CAS: 72537-17-8

Formula: C6H2ClF4N

SMILES: FC1=C(Cl)C=C(C=N1)C(F)(F)F

IUPAC: 3-chloro-2-fluoro-5-(trifluoromethyl)pyridine

InChI: InChI=1S/C6H2ClF4N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H

Composition: C (36.12%), H (1.01%), Cl (17.77%), F (38.09%), N (7.02%)

Molar Mass: 199.53

Atom Count: 14

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 198.9811894
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey GDSROTVTTLUHCO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.91
Topological Polar Surface Area 12.89
Polarizability 12.74
Ring Count 1
Rotatable Bond Count 1

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