1,5-Isoquinolinediol

C9H7NO2CAS 5154-02-9161.16 g/mol

Open in Covalent MOL file
HOOHN
Phenol

Properties

Molecular formula
C9H7NO2
Molar mass
161.16 g/mol
Exact mass
161.0477 Da
Melting point
282 °C
logP
1.65Crippen estimate
Polar surface area
53.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
5154-02-9
SMILES
Oc1cccc2c(O)nccc12
InChIKey
LFUJIPVWTMGYDG-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-5,11H,(H,10,12)

Weigh it out

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

Names and synonyms

5 names
  • 1(2H)-Isoquinolinone, 5-hydroxy-
  • 5-Hydroxy-1(2H)-isoquinolinone
  • 1,5-Dihydroxyisoquinoline
  • NSC 65585
  • 1,5-IQD

Work with 1,5-Isoquinolinediol

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

5-Bromo-1(2H)-isoquinolinone190777-77-663 % similar 1,5-Dihydroxynaphthalene83-56-758 % similar 1(2H)-Isoquinolinone491-30-555 % similar 2,3-Dihydroxypyridine16867-04-254 % similar 2,3-Pyridinediol84719-32-454 % similar 5-Hydroxyquinoline578-67-652 % similar Isoquinolin-5-ol2439-04-550 % similar 1-Naphthol90-15-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Phenyl-5(4H)-isoxazolone1076-59-1 8-Hydroxyquinoline N-oxide1127-45-3 7-Methylisatin1127-59-9 Methyl 4-cyanobenzoate1129-35-7 Azlactone1199-01-5 Methyl m-cyanobenzoate13531-48-1 Indole-2-carboxylic acid1477-50-5 8-Hydroxyquinolin-2(1H)-one15450-76-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook