2,4-dihydroxybenzonitrile

C7H5NO2 — CID 3017520

IUPAC2,4-dihydroxybenzonitrile
SMILESN#Cc1ccc(O)cc1O
InChIInChI=1S/C7H5NO2/c8-4-5-1-2-6(9)3-7(5)10/h1-3,9-10H
InChIKeyJFZAJWBGISKERI-UHFFFAOYSA-N
MW135.12 g/mol
LogP0.97
Rot. Bonds

About 2,4-dihydroxybenzonitrile

2,4-dihydroxybenzonitrile (PubChem CID 3017520) has the molecular formula C7H5NO2 and a molecular weight of 135.12 g/mol. Its IUPAC name is 2,4-dihydroxybenzonitrile.

Molecular Properties

Compound Name2,4-dihydroxybenzonitrile
PubChem CID3017520
Molecular FormulaC7H5NO2
Molecular Weight135.12 g/mol
Exact Mass135.03
IUPAC Name2,4-dihydroxybenzonitrile
SMILESN#Cc1ccc(O)cc1O
InChIInChI=1S/C7H5NO2/c8-4-5-1-2-6(9)3-7(5)10/h1-3,9-10H
InChIKeyJFZAJWBGISKERI-UHFFFAOYSA-N
XLogP0.97
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-sulfanylbenzonitrile
CID 91873860
azane;4-bromo-2-hydroxybenzonitrile
CID 135147435
azane;2-cyano-5-hydroxybenzenesulfonamide
CID 174596934
(4-cyano-3-hydroxyphenyl)-trifluoroboranuide
CID 165488033
2-hydroxy-4-prop-1-en-2-ylbenzonitrile
CID 177195315
2-hydroxy-4-phenylbenzonitrile
CID 23148964
4-(4-cyanophenyl)-2-hydroxybenzonitrile
CID 53219846
4-hydroxy-2-phenylbenzonitrile
CID 66882443
2-fluoro-5-hydroxybenzonitrile;hydrochloride
CID 145086137
2-hydroxy-5-(4-hydroxyphenyl)benzonitrile
CID 53219834
2-hydroxy-4-(2-phenylethenyl)benzonitrile
CID 90919565
4-hydroxy-2-(1,2,4-triazol-4-yl)benzonitrile
CID 84660464

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxybenzonitrile?
The IUPAC name of 2,4-dihydroxybenzonitrile (CID 3017520) is 2,4-dihydroxybenzonitrile.
What is the SMILES notation for 2,4-dihydroxybenzonitrile?
The canonical SMILES for 2,4-dihydroxybenzonitrile is N#Cc1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxybenzonitrile?
The InChIKey is JFZAJWBGISKERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2/c8-4-5-1-2-6(9)3-7(5)10/h1-3,9-10H.
What are the key properties of 2,4-dihydroxybenzonitrile?
2,4-dihydroxybenzonitrile has a molecular weight of 135.12 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxybenzonitrile is sourced from PubChem (CID 3017520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).