chempirical

6-(1H-Pyrazol-1-yl)pyridine-3-carboxylic acid

C9H7N3O2CAS 253315-22-9189.17 g/mol

Open in Covalent MOL file
NNNOOH
Carboxylic acid

Properties

Molecular formula
C9H7N3O2
Molar mass
189.17 g/mol
Exact mass
189.0538 Da
logP
0.97Crippen estimate
Polar surface area
68.0 Ų
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
253315-22-9
SMILES
C1=CN(N=C1)C2=NC=C(C=C2)C(=O)O
InChIKey
QWFKXYLAKWFQLF-UHFFFAOYSA-N
InChI
InChI=1S/C9H7N3O2/c13-9(14)7-2-3-8(10-6-7)12-5-1-4-11-12/h1-6H,(H,13,14)

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Names and synonyms

1 names
  • 6-(1H-Pyrazol-1-yl)nicotinic acid

Work with 6-(1H-Pyrazol-1-yl)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

4-(1H-Pyrazol-1-yl)benzoic acid16209-00-064 % similar 2-(1H-Pyrazol-1-yl)benzoic acid55317-53-851 % similar [2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-850 % similar 2,5-Pyridinedicarboxylic acid100-26-549 % similar 5-Chloromethyl-2-(pyrazol-1-yl)pyridine748796-39-648 % similar 6-Fluoronicotinic acid403-45-248 % similar 6-Hydroxynicotinic acid5006-66-648 % similar 6,6′-Dithiodinicotinic acid15658-35-246 % similar

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

Same formula

4-(4H-1,2,4-Triazol-4-yl)benzoic acid157069-48-2 3-(1H-1,2,4-Triazol-1-yl)benzoic acid167626-64-4 3-(4-Nitrophenyl)-1H-pyrazole20583-31-7 1-(4-Nitrophenyl)-1H-imidazole2301-25-9 5-Amino-6-nitroquinoline35975-00-9

Elsewhere

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