2,6-dibromobenzonitrile

C7H3Br2N — CID 12683209

IUPAC2,6-dibromobenzonitrile
SMILESN#Cc1c(Br)cccc1Br
InChIInChI=1S/C7H3Br2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKeyKBLLYABRMLFXFZ-UHFFFAOYSA-N
MW260.92 g/mol
LogP3.08
Rot. Bonds

About 2,6-dibromobenzonitrile

2,6-dibromobenzonitrile (PubChem CID 12683209) has the molecular formula C7H3Br2N and a molecular weight of 260.92 g/mol. Its IUPAC name is 2,6-dibromobenzonitrile.

Molecular Properties

Compound Name2,6-dibromobenzonitrile
PubChem CID12683209
Molecular FormulaC7H3Br2N
Molecular Weight260.92 g/mol
Exact Mass258.86
IUPAC Name2,6-dibromobenzonitrile
SMILESN#Cc1c(Br)cccc1Br
InChIInChI=1S/C7H3Br2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKeyKBLLYABRMLFXFZ-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 2,6-dibromobenzonitrile?
The IUPAC name of 2,6-dibromobenzonitrile (CID 12683209) is 2,6-dibromobenzonitrile.
What is the SMILES notation for 2,6-dibromobenzonitrile?
The canonical SMILES for 2,6-dibromobenzonitrile is N#Cc1c(Br)cccc1Br.
What is the InChIKey of 2,6-dibromobenzonitrile?
The InChIKey is KBLLYABRMLFXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H.
What are the key properties of 2,6-dibromobenzonitrile?
2,6-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 2,6-dibromobenzonitrile is sourced from PubChem (CID 12683209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).