2,4-dibromo-5-hydroxybenzonitrile

C7H3Br2NO — CID 131338627

IUPAC2,4-dibromo-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)c(Br)cc1Br
InChIInChI=1S/C7H3Br2NO/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2,11H
InChIKeyJJOFNCRTSRKBOG-UHFFFAOYSA-N
MW276.92 g/mol
LogP2.79
Rot. Bonds

About 2,4-dibromo-5-hydroxybenzonitrile

2,4-dibromo-5-hydroxybenzonitrile (PubChem CID 131338627) has the molecular formula C7H3Br2NO and a molecular weight of 276.92 g/mol. Its IUPAC name is 2,4-dibromo-5-hydroxybenzonitrile.

Molecular Properties

Compound Name2,4-dibromo-5-hydroxybenzonitrile
PubChem CID131338627
Molecular FormulaC7H3Br2NO
Molecular Weight276.92 g/mol
Exact Mass274.86
IUPAC Name2,4-dibromo-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)c(Br)cc1Br
InChIInChI=1S/C7H3Br2NO/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2,11H
InChIKeyJJOFNCRTSRKBOG-UHFFFAOYSA-N
XLogP2.79
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.92
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-hydroxy-2-methylbenzonitrile
CID 131314645
2,4,5-tribromobenzonitrile
CID 119003034
5-bromo-2-fluoro-4-hydroxybenzonitrile
CID 90427411
5-bromo-2-cyano-4-hydroxybenzoic acid
CID 121227775
2-acetyl-4-bromo-5-hydroxybenzonitrile
CID 171003376
2-bromo-5-hydroxy-4-nitrobenzonitrile
CID 131260237
2,4-dibromo-5-methylbenzonitrile
CID 12580552
2-(4-bromo-5-cyano-2-hydroxyphenyl)acetic acid
CID 118804843
methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate
CID 131576437
4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride
CID 118845241
5-bromo-2-hydroxy-4-methylbenzonitrile
CID 67186294
5-amino-4-bromo-2-hydroxybenzonitrile
CID 131543727

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-hydroxybenzonitrile?
The IUPAC name of 2,4-dibromo-5-hydroxybenzonitrile (CID 131338627) is 2,4-dibromo-5-hydroxybenzonitrile.
What is the SMILES notation for 2,4-dibromo-5-hydroxybenzonitrile?
The canonical SMILES for 2,4-dibromo-5-hydroxybenzonitrile is N#Cc1cc(O)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-5-hydroxybenzonitrile?
The InChIKey is JJOFNCRTSRKBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2NO/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2,11H.
What are the key properties of 2,4-dibromo-5-hydroxybenzonitrile?
2,4-dibromo-5-hydroxybenzonitrile has a molecular weight of 276.92 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-hydroxybenzonitrile is sourced from PubChem (CID 131338627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).