chempirical

5-Methyl-2,3-pyridinedicarboxylic acid

C8H7NO4CAS 53636-65-0181.15 g/mol

Open in Covalent MOL file
NOOHOOH
Carboxylic acid

Properties

Molecular formula
C8H7NO4
Molar mass
181.15 g/mol
Exact mass
181.0375 Da
logP
0.79Crippen estimate
Polar surface area
87.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
53636-65-0
SMILES
Cc1cnc(C(=O)O)c(C(=O)O)c1
InChIKey
JPIJMXOJEHMTPU-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO4/c1-4-2-5(7(10)11)6(8(12)13)9-3-4/h2-3H,1H3,(H,10,11)(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • 2,3-Pyridinedicarboxylic acid, 5-methyl-
  • 5-Methylpyridine-2,3-dicarboxylic acid

Work with 5-Methyl-2,3-pyridinedicarboxylic 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

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-559 % similar Imazapic104098-48-853 % similar 4-Methylphthalic acid4316-23-853 % similar 5-Methylnicotinic acid3222-49-950 % similar 2,5-Dimethylbenzoic acid610-72-050 % similar 2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-449 % similar 5-Methylsalicylic acid89-56-549 % similar 2-Amino-5-methylbenzoic acid2941-78-847 % similar

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

Same formula

2-Aminoterephthalic acid10312-55-7 (4-Nitrophenyl)acetic acid104-03-0 2-Methyl-6-nitrobenzoic acid13506-76-8 2-Methoxy-4-nitrobenzaldehyde136507-15-8 1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-6 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-7 5-Methyl 2,5-pyridinedicarboxylate17874-79-2 3-Nitrophenylacetic acid1877-73-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook