chempirical

2-Chloro-5-(trifluoromethyl)nicotinic acid

C7H3ClF3NO2CAS 505084-59-3225.55 g/mol

Open in Covalent MOL file
NOHOClFFF
Alkyl halideAryl halideCarboxylic acid

Properties

Molecular formula
C7H3ClF3NO2
Molar mass
225.55 g/mol
Exact mass
224.9804 Da
logP
2.45Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
505084-59-3
SMILES
C1=C(C=NC(=C1C(=O)O)Cl)C(F)(F)F
InChIKey
RMSKYTKOFDQVEL-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF3NO2/c8-5-4(6(13)14)1-3(2-12-5)7(9,10)11/h1-2H,(H,13,14)

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Names and synonyms

1 names
  • 2-Chloro-5-(trifluoromethyl)-3-pyridinecarboxylic acid

Work with 2-Chloro-5-(trifluoromethyl)nicotinic 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

2-Chloro-5-fluoronicotinic acid38186-88-862 % similar 3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid80194-68-961 % similar 2,5-Dichloropyridine-3-carboxylic acid59782-85-361 % similar 5-Bromo-2-chloronicotinic acid29241-65-457 % similar 2-Chloro-5-(trifluoromethyl)benzoic acid657-06-756 % similar 4-(Trifluoromethyl)phthalic acid835-58-554 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid129931-45-953 % similar 2,3-Dichloro-5-(trifluoromethyl)pyridine69045-84-753 % similar

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

Same formula

5-Chloro-2-nitrobenzotrifluoride118-83-2 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-5 2-Chloro-4-nitrobenzotrifluoride151504-80-2 2-Chloro-6-trifluoromethylnicotinic acid280566-45-2 2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-1 3-Chloro-5-nitrobenzotrifluoride401-93-4 3-Chloro-4-nitrobenzotrifluoride402-11-9 2-Chloro-5-nitrobenzotrifluoride777-37-7

Elsewhere

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