chempirical

Isoquinolin-5-ol

C9H7NOCAS 2439-04-5145.16 g/mol

Open in Covalent MOL file
OHN
Phenol

Properties

Molecular formula
C9H7NO
Molar mass
145.16 g/mol
Exact mass
145.0528 Da
Melting point
231–233 °C
logP
1.94Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
2439-04-5
SMILES
Oc1cccc2cnccc12
InChIKey
CSNXUYRHPXGSJD-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H

Weigh it out

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

Names and synonyms

3 names
  • 5-Hydroxyisoquinoline
  • 5-Isoquinolinol
  • NSC 51787

Work with Isoquinolin-5-ol

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

8-Hydroxyisoquinoline3482-14-271 % similar 1-Naphthol90-15-358 % similar 5-Bromoisoquinoline34784-04-857 % similar 5-Chloroisoquinoline5430-45-557 % similar 5-Aminoisoquinoline1125-60-655 % similar Isoquinoline-5-boronic acid371766-08-455 % similar 1,5-Dihydroxynaphthalene83-56-752 % similar 5-Isoquinolinesulfonic acid27655-40-950 % 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′-Cyanoacetophenone1443-80-7 8-Hydroxyquinoline148-24-3 Isoquinolin-N-oxide1532-72-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook