3,5-Dihydroxybenzonitrile

C7H5NO2CAS 19179-36-3135.12 g/mol

Open in Covalent MOL file
NOHOH
NitrilePhenol

Properties

Molecular formula
C7H5NO2
Molar mass
135.12 g/mol
Exact mass
135.0320 Da
logP
0.97Crippen estimate
Polar surface area
64.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
19179-36-3
SMILES
N#Cc1cc(O)cc(O)c1
InChIKey
ABHOEQJNEOMTEK-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO2/c8-4-5-1-6(9)3-7(10)2-5/h1-3,9-10H

Weigh it out

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Names and synonyms

3 names
  • Benzonitrile, 3,5-dihydroxy-
  • α-Resorcylonitrile
  • 5-Cyanoresorcinol

Work with 3,5-Dihydroxybenzonitrile

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

3-Chloro-5-hydroxybenzonitrile473923-97-668 % similar 3-Cyanophenol873-62-163 % similar 5-Hydroxypyridine-3-carbonitrile152803-24-258 % similar 4-Cyanophenol767-00-057 % similar 6-Hydroxy-2-naphthonitrile52927-22-752 % similar Phloroglucinol108-73-650 % similar 4′-Cyano-4-hydroxybiphenyl19812-93-250 % similar 2,6-Difluoro-4-hydroxybenzonitrile123843-57-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dihydroxybenzonitrile17345-61-8 1,2-Benzisoxazol-3(2H)-one21725-69-9 4,5-Dihydro-4-oxofuro[3,2-C]pyridine26956-43-4 2-Furoylacetonitrile31909-58-7 2,6-Diformylpyridine5431-44-7 2(3H)-Benzoxazolone59-49-4

Elsewhere

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