3,5-dibromo-4-hydroxybenzonitrile

C7H3Br2NO — CID 15531

IUPAC3,5-dibromo-4-hydroxybenzonitrile
SMILESN#Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKeyUPMXNNIRAGDFEH-UHFFFAOYSA-N
MW276.92 g/mol
LogP2.79
Rot. Bonds

About 3,5-dibromo-4-hydroxybenzonitrile

3,5-dibromo-4-hydroxybenzonitrile (PubChem CID 15531) has the molecular formula C7H3Br2NO and a molecular weight of 276.92 g/mol. Its IUPAC name is 3,5-dibromo-4-hydroxybenzonitrile.

Molecular Properties

Compound Name3,5-dibromo-4-hydroxybenzonitrile
PubChem CID15531
Molecular FormulaC7H3Br2NO
Molecular Weight276.92 g/mol
Exact Mass274.86
IUPAC Name3,5-dibromo-4-hydroxybenzonitrile
SMILESN#Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKeyUPMXNNIRAGDFEH-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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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-hydroxybenzonitrile?
The IUPAC name of 3,5-dibromo-4-hydroxybenzonitrile (CID 15531) is 3,5-dibromo-4-hydroxybenzonitrile.
What is the SMILES notation for 3,5-dibromo-4-hydroxybenzonitrile?
The canonical SMILES for 3,5-dibromo-4-hydroxybenzonitrile is N#Cc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-hydroxybenzonitrile?
The InChIKey is UPMXNNIRAGDFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H.
What are the key properties of 3,5-dibromo-4-hydroxybenzonitrile?
3,5-dibromo-4-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 3,5-dibromo-4-hydroxybenzonitrile is sourced from PubChem (CID 15531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).