chempirical

2-(Pyridin-2-yl)pyrimidine-5-carboxylic acid

C10H7N3O2CAS 933988-22-8201.18 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

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
933988-22-8
SMILES
C1=CC=NC(=C1)C2=NC=C(C=N2)C(=O)O
InChIKey
PGHKQASEGLDCRU-UHFFFAOYSA-N
InChI
InChI=1S/C10H7N3O2/c14-10(15)7-5-12-9(13-6-7)8-3-1-2-4-11-8/h1-6H,(H,14,15)

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Names and synonyms

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

Work with 2-(Pyridin-2-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-(2-Pyridyl)benzoic acid4385-62-069 % similar 2,2':6',2''-Terpyridine-4'-carboxylic acid148332-36-962 % similar [2,2′-Bipyridine]-4-carboxylic acid1748-89-662 % similar 4-[2,2':6',2''-Terpyridin]-4'-ylbenzoic acid158014-74-555 % similar [2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-851 % similar Picolinic acid98-98-651 % similar 5-(2-Pyridyl)thiophene-2-carboxylic acid119082-97-251 % similar 2,2'-Bipyridine-4,4'-dicarboxylic acid6813-38-350 % similar

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

Same formula

2-(Pyridin-3-YL)pyrimidine-5-carboxylic acid933988-20-6

Elsewhere

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