5'-Trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid

C₁₂H₁₃F₃N₂O₂CAS 406476-31-1274.24 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₂H₁₃F₃N₂O₂
Molar mass: 274.24 g/mol
Exact mass: 274.0929 Da
logP: 2.40Crippen estimate
Polar surface area: 53.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

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

406476-31-1

SMILES

C1CN(CCC1C(=O)O)C2=NC=C(C=C2)C(F)(F)F

InChIKey

KNDSIDUPVUCATQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H13F3N2O2/c13-12(14,15)9-1-2-10(16-7-9)17-5-3-8(4-6-17)11(18)19/h1-2,7-8H,3-6H2,(H,18,19)

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Names and synonyms

1 names

1-[5-(Trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid

Work with 5'-Trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-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

1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine132834-58-354 % similar 1-(2-Pyrimidinyl)-4-piperidinecarboxylic acid303144-44-748 % similar 5-(Trifluoromethyl)pyridine-2-carboxylic acid80194-69-047 % similar 1-Benzoyl-4-piperidinecarboxylic acid5274-99-741 % similar 4-(Trifluoromethyl)mandelic acid395-35-741 % similar 4-(Trifluoromethyl)-D-phenylalanine114872-99-040 % similar 4-(Trifluoromethyl)-L-phenylalanine114926-38-440 % similar 4-(Trifluoromethyl)phenylalanine14091-16-840 % similar

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

Elsewhere

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