Isoquinoline-8-carboxylic acid

C10H7NO2CAS 61563-43-7173.17 g/mol

Open in Covalent MOL file
NOOH
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 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
61563-43-7
SMILES
C1=CC2=C(C=NC=C2)C(=C1)C(=O)O
InChIKey
VMNZQPRIUSJCOH-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO2/c12-10(13)8-3-1-2-7-4-5-11-6-9(7)8/h1-6H,(H,12,13)

Weigh it out

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

Work with Isoquinoline-8-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 acid86-55-564 % similar Cinchomeronic acid490-11-956 % similar 4-Chloronicotinic acid10177-29-454 % similar 3-Chloroisonicotinic acid88912-27-054 % similar Isoquinoline-4-carboxylic acid7159-36-653 % similar 8-Quinolinecarboxylic acid86-59-953 % similar 3-(5-Azaindole)carboxylic acid119248-43-053 % similar 3-Hydroxy-4-pyridinecarboxylic acid10128-71-951 % 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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