4-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid

4-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid

CAS: 1018678-39-1

Formula: C7H3ClF3NO2

SMILES: OC(=O)C1=C(Cl)C=CN=C1C(F)(F)F

IUPAC: 4-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid

InChI: InChI=1S/C7H3ClF3NO2/c8-3-1-2-12-5(7(9,10)11)4(3)6(13)14/h1-2H,(H,13,14)

Composition: C (37.28%), H (1.34%), Cl (15.72%), F (25.27%), N (6.21%), O (14.19%)

Molar Mass: 225.55

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.9804405
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LORVMHLMFSWALD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.56
Topological Polar Surface Area	50.19
Polarizability	15.33
Ring Count	1
Rotatable Bond Count	2

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