2,5-Pyridinedicarboxylic acid
Properties
- Molecular formula
- C7H5NO4
- Molar mass
- 167.12 g/mol
- Exact mass
- 167.0219 Da
- Melting point
- 254 °C
- Boiling point
- 236 °C
- logP
- 0.48Crippen estimate
- Polar surface area
- 87.5 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98% of notifiers
Aggregated from 49 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
100-26-5SMILES
O=C(O)c1ccc(C(=O)O)nc1InChIKey
LVPMIMZXDYBCDF-UHFFFAOYSA-NInChI
InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/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
3 names
- Isocinchomeronic acid
- NSC 177
- 2,5-Dicarboxypyridine
Work with 2,5-Pyridinedicarboxylic 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
[2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-868 % similar
5-(Methoxycarbonyl)pyridine-2-carboxylic acid17874-79-265 % similar
5-Hydroxypyridine-2-carboxylic acid15069-92-863 % similar
6-Fluoronicotinic acid403-45-263 % similar
6-Hydroxynicotinic acid5006-66-663 % similar
2,5-Pyrazinedicarboxylic acid122-05-462 % similar
5-Fluoropyridine-2-carboxylic acid107504-08-561 % similar
6,6'-Dithiodinicotinic acid15658-35-261 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds