chempirical

Quinolinic acid

C7H5NO4CAS 339155-13-4167.12 g/mol

Open in Covalent MOL file
NOOHOHO
Carboxylic acid

Properties

Molecular formula
C7H5NO4
Molar mass
167.12 g/mol
Exact mass
167.0219 Da
logP
0.48Crippen estimate
Polar surface area
87.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
339155-13-4
SMILES
C1=CC(=C(N=C1)C(=O)O)C(=O)O
InChIKey
GJAWHXHKYYXBSV-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)

Weigh it out

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

Names and synonyms

1 names
  • 2,3-Pyridinedicarboxylic acid

Work with Quinolinic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Quinolinic acid89-00-9

Similar compounds

2-Acetyl-3-pyridinecarboxylic acid89942-59-672 % similar 2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-671 % similar 3-Bromopyridine-2-carboxylic acid30683-23-965 % similar 2-Hydroxynicotinic acid609-71-265 % similar 3-Hydroxypicolinic acid874-24-865 % similar 3-Aminopicolinic acid1462-86-863 % similar 3-Fluoropyridine-2-carboxylic acid152126-31-363 % similar 2-Chloronicotinic acid2942-59-863 % similar

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

Same formula

2,5-Pyridinedicarboxylic acid100-26-5 3-Nitrobenzoic acid121-92-6 4-Nitrophenyl formate1865-01-6 3-(5-Nitro-2-furyl)acrolein1874-22-2 2-Hydroxy-4-nitrobenzaldehyde2460-58-4 6-Nitro-1,3-benzodioxole2620-44-2 4-Hydroxy-3-nitrobenzaldehyde3011-34-5 5-Hydroxy-2-nitrobenzaldehyde42454-06-8

Elsewhere

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