3-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid

3-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid

CAS: 1211516-17-4

Formula: C8H6F3NO2

SMILES: CC1=CC(=CN=C1C(O)=O)C(F)(F)F

IUPAC: 3-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid

InChI: InChI=1S/C8H6F3NO2/c1-4-2-5(8(9,10)11)3-12-6(4)7(13)14/h2-3H,1H3,(H,13,14)

Composition: C (46.84%), H (2.95%), F (27.78%), N (6.83%), O (15.60%)

Molar Mass: 205.136

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.035062926
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CIEXYRWKGCYSPN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.8
Topological Polar Surface Area	50.19
Polarizability	14.99
Ring Count	1
Rotatable Bond Count	2

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