2,3-Quinolinedicarboxylic acid

C₁₁H₇NO₄CAS 643-38-9217.18 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₁H₇NO₄
Molar mass: 217.18 g/mol
Exact mass: 217.0375 Da
Melting point: 183 °C
logP: 1.63Crippen estimate
Polar surface area: 87.5 Å²
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 irritation100% of notifiers

Aggregated from the 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

643-38-9

SMILES

O=C(O)c1cc2ccccc2nc1C(=O)O

InChIKey

YHUVMHKAHWKQBI-UHFFFAOYSA-N

InChI

InChI=1S/C11H7NO4/c13-10(14)7-5-6-3-1-2-4-8(6)12-9(7)11(15)16/h1-5H,(H,13,14)(H,15,16)

Weigh it out

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

Names and synonyms

2 names

Acridinic acid
NSC 26342

Work with 2,3-Quinolinedicarboxylic 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-Chloroquinoline-3-carboxylic acid73776-25-768 % similar 2-(Trifluoromethyl)-3-quinolinecarboxylic acid587886-26-863 % similar 2,3-Naphthalenedicarboxylic acid2169-87-159 % similar Quinaldic acid93-10-754 % similar Imazaquin81335-37-754 % similar 3-Amino-2-naphthoic acid5959-52-451 % similar 3-Hydroxy-2-naphthoic acid92-70-651 % similar Bicinchoninic acid1245-13-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-(3-Nitrophenyl)-2-furaldehyde13148-43-1 N-(4-Carboxyphenyl)maleimide17057-04-4 3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)benzoic acid17057-07-7 5-(2-Nitrophenyl)-2-furaldehyde20000-96-8 3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylic acid49711-55-9 5-(4-Nitrophenyl)-2-furancarboxaldehyde7147-77-5

Elsewhere

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