chempirical

Dipicolinic acid

C7H5NO4CAS 499-83-2167.12 g/mol

Open in Covalent MOL file
OHOOOHN
Carboxylic acid

Properties

Molecular formula
C7H5NO4
Molar mass
167.12 g/mol
Exact mass
167.0219 Da
Melting point
249 °C (decomposes)
logP
0.48Crippen estimate
Polar surface area
87.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
499-83-2
SMILES
O=C(O)c1cccc(C(=O)O)n1
InChIKey
WJJMNDUMQPNECX-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)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

9 names
  • 2,6-Pyridinedicarboxylic acid
  • DPAc
  • 2,6-Dicarboxypyridine
  • 2,6-Dipicolinic acid
  • DPA
  • 6-Carboxypicolinic acid
  • NSC 176
  • Pyridine-2,6-diformic acid
  • Pyridine-2,6-dicarboxylic acid

Work with Dipicolinic 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

6-Hydroxypicolinic acid19621-92-273 % similar 6-Chloropicolinic acid4684-94-073 % similar 6-Methylpicolinic acid934-60-170 % similar 6-Trifluoromethyl-2-pyridinecarboxylic acid131747-42-763 % similar 6-Methoxypicolinic acid26893-73-263 % similar Picolinic acid98-98-659 % similar Quinaldic acid93-10-757 % similar 8-Hydroxyquinoline-2-carboxylic acid1571-30-856 % 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

PubChem CAS Common Chemistry NIST WebBook Wikipedia