6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

CAS: 924817-68-5

Formula: C13H8F3NO2

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

IUPAC: 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

InChI: InChI=1S/C13H8F3NO2/c14-13(15,16)9-6-4-8(5-7-9)10-2-1-3-11(17-10)12(18)19/h1-7H,(H,18,19)

Composition: C (58.44%), H (3.02%), F (21.33%), N (5.24%), O (11.97%)

Molar Mass: 267.207

Atom Count: 27

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	267.050712991
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JBAJBPRCHPGONU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.52
Topological Polar Surface Area	50.19
Polarizability	23.77
Ring Count	2
Rotatable Bond Count	3

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95%	<7 Days	924817-68-5		$34.16-$62.10$34.16$62.10