chempirical

2-(Pyridin-3-YL)pyrimidine-5-carboxylic acid

C10H7N3O2CAS 933988-20-6201.18 g/mol

Open in Covalent MOL file
NNNOOH
Carboxylic acid

Properties

Molecular formula
C10H7N3O2
Molar mass
201.18 g/mol
Exact mass
201.0538 Da
logP
1.24Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
1 / 4
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
933988-20-6
SMILES
C1=CC(=CN=C1)C2=NC=C(C=N2)C(=O)O
InChIKey
MORKTPRONBOIJR-UHFFFAOYSA-N
InChI
InChI=1S/C10H7N3O2/c14-10(15)8-5-12-9(13-6-8)7-2-1-3-11-4-7/h1-6H,(H,14,15)

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Names and synonyms

1 names
  • 2-Pyridin-3-ylpyrimidine-5-carboxylic acid

Work with 2-(Pyridin-3-YL)pyrimidine-5-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-Pyridin-3-yl-benzoic acid4385-75-567 % similar 3-(Pyridin-3-yl)benzoic acid4385-77-763 % similar Niacin59-67-662 % similar 2-Chloropyrimidine-5-carboxylic acid374068-01-647 % similar 5-Pyrimidinecarboxylic acid4595-61-347 % similar 4-Methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylic acid39091-01-547 % similar 4-(2-Pyridyl)benzoic acid4385-62-046 % similar [2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-846 % similar

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

Same formula

2-(Pyridin-2-yl)pyrimidine-5-carboxylic acid933988-22-8

Elsewhere

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