5-(trifluoromethyl)pyridine-2-carboxylic acid

5-(trifluoromethyl)pyridine-2-carboxylic acid

CAS: 80194-69-0

Formula: C7H4F3NO2

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

IUPAC: 5-(trifluoromethyl)pyridine-2-carboxylic acid

InChI: InChI=1S/C7H4F3NO2/c8-7(9,10)4-1-2-5(6(12)13)11-3-4/h1-3H,(H,12,13)

Composition: C (43.99%), H (2.11%), F (29.82%), N (7.33%), O (16.74%)

Molar Mass: 191.109

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	191.019412862
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NJHGVAYLDHROPT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.76
Topological Polar Surface Area	50.19
Polarizability	13.29
Ring Count	1
Rotatable Bond Count	2

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