3,5-dibromobenzonitrile

C7H3Br2N — CID 2797690

IUPAC3,5-dibromobenzonitrile
SMILESN#Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C7H3Br2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKeyQUJGDNCWTBTBQD-UHFFFAOYSA-N
MW260.92 g/mol
LogP3.08
Rot. Bonds

About 3,5-dibromobenzonitrile

3,5-dibromobenzonitrile (PubChem CID 2797690) has the molecular formula C7H3Br2N and a molecular weight of 260.92 g/mol. Its IUPAC name is 3,5-dibromobenzonitrile.

Molecular Properties

Compound Name3,5-dibromobenzonitrile
PubChem CID2797690
Molecular FormulaC7H3Br2N
Molecular Weight260.92 g/mol
Exact Mass258.86
IUPAC Name3,5-dibromobenzonitrile
SMILESN#Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C7H3Br2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKeyQUJGDNCWTBTBQD-UHFFFAOYSA-N
XLogP3.08
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.92
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromobenzonitrile?
The IUPAC name of 3,5-dibromobenzonitrile (CID 2797690) is 3,5-dibromobenzonitrile.
What is the SMILES notation for 3,5-dibromobenzonitrile?
The canonical SMILES for 3,5-dibromobenzonitrile is N#Cc1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromobenzonitrile?
The InChIKey is QUJGDNCWTBTBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H.
What are the key properties of 3,5-dibromobenzonitrile?
3,5-dibromobenzonitrile has a molecular weight of 260.92 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromobenzonitrile is sourced from PubChem (CID 2797690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).