chempirical

Citrazinic acid

C6H5NO4CAS 99-11-6155.11 g/mol

Open in Covalent MOL file
OHOOHNOH
Carboxylic acidPhenol

Properties

Molecular formula
C6H5NO4
Molar mass
155.11 g/mol
Exact mass
155.0219 Da
Melting point
above 300 °C (decomposes)
logP
0.19Crippen estimate
Polar surface area
90.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Identifiers

CAS number
99-11-6
SMILES
O=C(O)c1cc(O)nc(O)c1
InChIKey
CSGQJHQYWJLPKY-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)

Weigh it out

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

Names and synonyms

12 names
  • 4-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-2-oxo-
  • Isonicotinic acid, 2,6-dihydroxy-
  • Isonicotinic acid, 1,2-dihydro-6-hydroxy-2-oxo-
  • 1,2-Dihydro-6-hydroxy-2-oxo-4-pyridinecarboxylic acid
  • 2,6-Dihydroxy-4-carboxypyridine
  • 2,6-Dihydroxyisonicotinic acid
  • 2,6-Dihydroxy-4-pyridinecarboxylic acid
  • 6-Hydroxy-4-carboxy-2-pyridone
  • CGA 129218
  • NSC 41334
  • NSC 5214
  • 2-Hydroxy-6-oxo-1H-pyridine-4-carboxylic acid

Work with Citrazinic 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

Trimesic acid554-95-061 % similar 5-Hydroxyisophthalic acid618-83-756 % similar 2,6-Dichloroisonicotinic acid5398-44-755 % similar Orotic acid65-86-155 % similar Gallic acid149-91-752 % similar 6-Hydroxypyrimidine-4-carboxylic acid6299-87-252 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-950 % similar Dinicotinic acid499-81-050 % similar

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

Same formula

2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-acetic acid25021-08-3 4-Nitrocatechol3316-09-4 N-(Methoxycarbonyl)maleimide55750-48-6 2-Nitroresorcinol601-89-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia