6-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid

C₈H₆F₃NO₃CAS 175204-90-7221.14 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₆F₃NO₃
Molar mass: 221.14 g/mol
Exact mass: 221.0300 Da
logP: 1.72Crippen estimate
Polar surface area: 59.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

175204-90-7

SMILES

C1=CC(=NC=C1C(=O)O)OCC(F)(F)F

InChIKey

GZOOLXWQKURRPU-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F3NO3/c9-8(10,11)4-15-6-2-1-5(3-12-6)7(13)14/h1-3H,4H2,(H,13,14)

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Names and synonyms

1 names

6-(2,2,2-Trifluoroethoxy)nicotinic acid

Work with 6-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Methoxynicotinic acid66572-55-256 % similar 6-Trifluoromethylnicotinic acid231291-22-852 % similar 6-Fluoronicotinic acid403-45-250 % similar 6,6′-Dithiodinicotinic acid15658-35-249 % similar [2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-849 % similar 2,5-Pyridinedicarboxylic acid100-26-548 % similar 6-Hydroxynicotinic acid5006-66-646 % similar 2,5-Bis(2,2,2-trifluoroethoxy)benzoic acid35480-52-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Amino-3-(trifluoromethoxy)benzoic acid175278-22-5 3-Methoxy-5-nitrobenzotrifluoride328-79-0 4-Methoxy-3-nitrobenzotrifluoride394-25-2 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene654-76-2 2-Amino-5-(trifluoromethoxy)benzoic acid83265-56-9

Elsewhere

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