4-(difluoromethyl)pyridine-2-carboxylic acid

4-(difluoromethyl)pyridine-2-carboxylic acid

CAS: 1256804-49-5

Formula: C7H5F2NO2

SMILES: OC(=O)C1=CC(=CC=N1)C(F)F

IUPAC: 4-(difluoromethyl)pyridine-2-carboxylic acid

InChI: InChI=1S/C7H5F2NO2/c8-6(9)4-1-2-10-5(3-4)7(11)12/h1-3,6H,(H,11,12)

Composition: C (48.57%), H (2.91%), F (21.95%), N (8.09%), O (18.48%)

Molar Mass: 173.119

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	173.028834731
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LBKZMIRLIORABF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.87
Topological Polar Surface Area	50.19
Polarizability	13.33
Ring Count	1
Rotatable Bond Count	2

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