1,5-Isoquinolinediol

C₉H₇NO₂CAS 5154-02-9161.16 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

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 5-Hydroxyisoquinoline2439-04-550 % 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 Methyl m-cyanobenzoate13531-48-1 Indole-2-carboxylic acid1477-50-5 8-Hydroxy-1H-quinolin-2-one15450-76-7 3-Aminocoumarin1635-31-0

Elsewhere

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