5-Ethyl-2,3-pyridinedicarboxylic acid

C9H9NO4CAS 102268-15-5195.17 g/mol

Open in Covalent MOL file
NOOHOOH
Carboxylic acid

Properties

Molecular formula
C9H9NO4
Molar mass
195.17 g/mol
Exact mass
195.0532 Da
Melting point
148–151 °C
logP
1.04Crippen estimate
Polar surface area
87.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
102268-15-5
SMILES
CCc1cnc(C(=O)O)c(C(=O)O)c1
InChIKey
MTAVBTGOXNGCJR-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO4/c1-2-5-3-6(8(11)12)7(9(13)14)10-4-5/h3-4H,2H2,1H3,(H,11,12)(H,13,14)

Weigh it out

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

Names and synonyms

2 names
  • 2,3-Pyridinedicarboxylic acid, 5-ethyl-
  • 5-Ethylquinolinic acid

Work with 5-Ethyl-2,3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Methyl-2,3-pyridinedicarboxylic acid53636-65-059 % similar Imazethapyr81335-77-556 % similar 5-Ethylpicolinic acid770-08-154 % similar 5-Ethylpyridine-2,3-dicarboxylic acid diethyl ester105151-39-151 % similar 4-Ethylbenzoic acid619-64-745 % similar Quinolinic acid339155-13-444 % similar Quinolinic acid89-00-944 % similar 2-Ethylbenzoic acid612-19-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Ethyl-3-nitrobenzoic acid103440-95-5 2-Hydroxyhippuric acid16555-77-4 3-(4-Nitrophenyl)propionic acid16642-79-8 3-(3-Nitrophenyl)propionic acid1664-57-9 2-(4-Nitrophenyl)propionic acid19910-33-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Methyl 3-methyl-4-nitrobenzoate24078-21-5 2-Amino-3-(methoxycarbonyl)benzoic acid253120-47-7

Elsewhere

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