chempirical

Lutidinic acid

C7H5NO4CAS 499-80-9167.12 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
249 °C
logP
0.48Crippen estimate
Polar surface area
87.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
499-80-9
SMILES
O=C(O)c1ccnc(C(=O)O)c1
InChIKey
MJIVRKPEXXHNJT-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)

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

Names and synonyms

4 names
  • 2,4-Pyridinedicarboxylic acid
  • 2,4-Dicarboxylpyridine
  • 2,4-Lutidinic acid
  • NSC 403248

Work with Lutidinic 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

2-Fluoroisonicotinic acid402-65-365 % similar 4-Aminopicolinic acid100047-36-763 % similar 2-Chloroisonicotinic acid6313-54-863 % similar 4-Fluoro-2-pyridinecarboxylic acid886371-78-463 % similar 2-Methoxy-4-pyridinecarboxylic acid105596-63-257 % similar 4-Aminopyridine-2-carboxylic acid hydrochloride1291487-29-057 % similar 2-(Trifluoromethyl)isonicotinic acid131747-41-657 % similar [2,2′-Bipyridine]-4-carboxylic acid1748-89-657 % 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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