2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid

2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid

CAS: 36701-89-0

Formula: C13H8F3NO3

SMILES: OC(=O)C1=CC=CN=C1OC1=CC=CC(=C1)C(F)(F)F

IUPAC: 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid

InChI: InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)

Composition: C (55.13%), H (2.85%), F (20.12%), N (4.95%), O (16.95%)

Molar Mass: 283.206

Atom Count: 28

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	283.045627611
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OBRGOFGSXWAVNZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.69
Topological Polar Surface Area	59.42
Polarizability	23.36
Ring Count	2
Rotatable Bond Count	4

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