Cinchomeronic acid

C7H5NO4CAS 490-11-9167.12 g/mol

Open in Covalent MOL file
OHONOHO
Carboxylic acid

Properties

Molecular formula
C7H5NO4
Molar mass
167.12 g/mol
Exact mass
167.0219 Da
Melting point
256 °C
logP
0.48Crippen estimate
Polar surface area
87.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
490-11-9
SMILES
O=C(O)c1ccncc1C(=O)O
InChIKey
MUYSADWCWFFZKR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(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

3 names
  • 3,4-Pyridinedicarboxylic acid
  • Chinchomeronic acid
  • NSC 178

Work with Cinchomeronic 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-Hydroxy-4-pyridinecarboxylic acid10128-71-969 % similar 4-Chloronicotinic acid10177-29-467 % similar 3-Bromoisonicotinic acid13959-02-967 % similar 4-Bromopyridine-3-carboxylic acid15366-62-867 % similar 4-Methylnicotinic acid3222-50-267 % similar 3-Fluoropyridine-4-carboxylic acid393-53-367 % similar 3-Methyl-isonicotinic acid4021-12-967 % similar 3-Aminoisonicotinic acid7579-20-667 % 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 Quinolinic acid339155-13-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook