Isoquinoline-4-carboxylic acid

C10H7NO2CAS 7159-36-6173.17 g/mol

Open in Covalent MOL file
NOHO
Carboxylic acid

Properties

Molecular formula
C10H7NO2
Molar mass
173.17 g/mol
Exact mass
173.0477 Da
logP
1.93Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
7159-36-6
SMILES
C1=CC=C2C(=C1)C=NC=C2C(=O)O
InChIKey
MCVMLYSLPCECGO-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO2/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,(H,12,13)

Weigh it out

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

Work with Isoquinoline-4-carboxylic 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

1-Naphthoic acid86-55-563 % similar 1,4-Naphthalenedicarboxylic acid605-70-955 % similar 2,3-Naphthalenedicarboxylic acid2169-87-153 % similar Isoquinoline-8-carboxylic acid61563-43-753 % similar 1-Hydroxy-2-naphthoic acid86-48-651 % similar 1-Bromo-2-naphthalenecarboxylic acid20717-79-750 % similar Diphenic acid482-05-350 % similar Cinchomeronic acid490-11-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-Cyanocinnamic acid1011-92-3 6-Quinolinecarboxylic acid10349-57-2 6-Isoquinolinecarboxylic acid106778-43-2 1-Nitroso-2-naphthol131-91-9 2-Nitroso-1-naphthol132-53-6 8-Hydroxyquinoline-2-carboxaldehyde14510-06-6 3-(4-Cyanophenyl)-2-propenoic acid18664-39-6 Isoquinoline-5-carboxylic acid27810-64-6

Elsewhere

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