chempirical

Dinicotinic acid

C7H5NO4CAS 499-81-0167.12 g/mol

Open in Covalent MOL file
OHONOOH
Carboxylic acid

Properties

Molecular formula
C7H5NO4
Molar mass
167.12 g/mol
Exact mass
167.0219 Da
Melting point
324 °C
logP
0.48Crippen estimate
Polar surface area
87.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
499-81-0
SMILES
O=C(O)c1cncc(C(=O)O)c1
InChIKey
MPFLRYZEEAQMLQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/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

4 names
  • 3,5-Pyridinedicarboxylic acid
  • 5-Carboxynicotinic acid
  • 3,5-Pyridinedicarboxylate
  • NSC 6497

Work with Dinicotinic 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-Bromonicotinic acid20826-04-473 % similar 5-Hydroxynicotinic acid27828-71-373 % similar 5-Methylnicotinic acid3222-49-970 % similar 5-Fluoronicotinic acid402-66-470 % similar 5-Pyrimidinecarboxylic acid4595-61-370 % similar Trimesic acid554-95-067 % similar 5-(Trifluoromethyl)nicotinic acid131747-40-563 % similar Isophthalic acid121-91-556 % 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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