2-Hydroxy-6-(trifluoromethyl)nicotinicacid

C₇H₄F₃NO₃CAS 191595-63-8207.11 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₇H₄F₃NO₃
Molar mass: 207.11 g/mol
Exact mass: 207.0143 Da
logP: 1.09Crippen estimate
Polar surface area: 70.2 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

191595-63-8

SMILES

C1=C(C(=O)NC(=C1)C(F)(F)F)C(=O)O

InChIKey

JPOIZUVDMRHIIT-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F3NO3/c8-7(9,10)4-2-1-3(6(13)14)5(12)11-4/h1-2H,(H,11,12)(H,13,14)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Hydroxy-6-(trifluoromethyl)nicotinic acid

Work with 2-Hydroxy-6-(trifluoromethyl)nicotinicacid

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

2-(Trifluoromethyl)benzoic acid433-97-646 % similar 2-Hydroxy-4-(trifluoromethyl)benzoic acid328-90-545 % similar 2-Amino-4-(trifluoromethyl)benzoic acid402-13-145 % similar 4-Methyl-2-(trifluoromethyl)benzoic acid120985-64-044 % similar 4-Chloro-2-(trifluoromethyl)benzoic acid142994-09-044 % similar 2-Bromo-4-(trifluoromethyl)benzoic acid328-89-244 % similar 2,5-Bis(trifluoromethyl)benzoic acid42580-42-743 % similar 2-(Trifluoromethyl)nicotinic acid131747-43-842 % similar

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

Same formula

2-(Trifluoromethoxy)nitrobenzene1644-88-8 3-(Trifluoromethyl)-5-nitrophenol349-57-5 2-Nitro-4-(trifluoromethyl)phenol400-99-7 Tfm (piscicide)88-30-2

Elsewhere

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