chempirical

7-Isoquinolinol

C9H7NOCAS 7651-83-4145.16 g/mol

Open in Covalent MOL file
HON
Phenol

Properties

Molecular formula
C9H7NO
Molar mass
145.16 g/mol
Exact mass
145.0528 Da
Melting point
228–230 °C
logP
1.94Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
7651-83-4
SMILES
Oc1ccc2ccncc2c1
InChIKey
WCRKBMABEPCYII-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h1-6,11H

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

Names and synonyms

1 names
  • 7-Hydroxyisoquinoline

Work with 7-Isoquinolinol

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

6-Isoquinolinol7651-82-384 % similar 2,7-Naphthalenediol582-17-258 % similar 2,6-Dihydroxynaphthalene581-43-154 % similar 2-Naphthol135-19-352 % similar 6-Bromoisoquinoline34784-05-948 % similar Isoquinoline119-65-348 % similar 2-Bromo-7-hydroxynaphthalene116230-30-947 % similar 6-Methylisoquinoline42398-73-244 % similar

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

Same formula

Indole-4-carboxaldehyde1074-86-8 Indole-7-carboxaldehyde1074-88-0 Indole-5-carboxaldehyde1196-69-6 Indole-6-carboxaldehyde1196-70-9 Quinolinol1321-40-0 4-Acetylbenzonitrile1443-80-7 8-Hydroxyquinoline148-24-3 Isoquinoline N-oxide1532-72-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook