chempirical

2-(Pyrimidin-5-yl)acetic acid

C6H6N2O2CAS 5267-07-2138.13 g/mol

Open in Covalent MOL file
NNOOH
Carboxylic acid

Properties

Molecular formula
C6H6N2O2
Molar mass
138.13 g/mol
Exact mass
138.0429 Da
logP
0.10Crippen estimate
Polar surface area
63.1 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
5267-07-2
SMILES
C1=C(C=NC=N1)CC(=O)O
InChIKey
HEEUMCHKVXTQIP-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c9-6(10)1-5-2-7-4-8-3-5/h2-4H,1H2,(H,9,10)

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Names and synonyms

1 names
  • 5-Pyrimidineacetic acid

Work with 2-(Pyrimidin-5-yl)acetic 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

3-Pyridineacetic acid501-81-561 % similar 4-Pyridineacetic acid28356-58-359 % similar 1,4-Benzenediacetic acid7325-46-458 % similar 3-Pyridylacetic acid hydrochloride6419-36-956 % similar 4-Pyridylacetic acid hydrochloride6622-91-953 % similar Phenylacetic acid103-82-252 % similar 1,3-Benzenediacetic acid19806-17-850 % similar 2-(6-Chloropyridin-3-yl)acetic acid39891-13-949 % similar

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

Same formula

4-Nitroaniline100-01-6 4-Aminopicolinic acid100047-36-7 Urocanic acid104-98-3 Benzoquinone dioxime105-11-3 5-Methyl-2-nitropyridine1074-38-0 2-Aminopyridine-4-carboxylic acid13362-28-2 2-Methyl-4-nitropyridine13508-96-8 2-Methyl-4-pyrimidinecarboxylic acid13627-49-1

Elsewhere

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