chempirical

Isoquinoline-5-carboxylic acid

C10H7NO2CAS 27810-64-6173.17 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
27810-64-6
SMILES
C1=CC2=C(C=CN=C2)C(=C1)C(=O)O
InChIKey
ZIPLFLRGHZAXSJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H,12,13)

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Work with Isoquinoline-5-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

Isoquinoline-8-carboxylic acid61563-43-776 % similar Isoquinoline-4-carboxylic acid7159-36-666 % similar 1-Naphthoic acid86-55-564 % similar Cinchomeronic acid490-11-956 % similar 4-Chloronicotinic acid10177-29-454 % similar 6-Hydroxy-1-naphthoic acid2437-17-454 % similar 1H-Pyrrolo(2,3-c)pyridine-3-carboxylic acid67058-74-653 % 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 Vinylphthalimide3485-84-5

Elsewhere

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