4-bromo-2-chlorobenzonitrile

C7H3BrClN — CID 7010420

IUPAC4-bromo-2-chlorobenzonitrile
SMILESN#Cc1ccc(Br)cc1Cl
InChIInChI=1S/C7H3BrClN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
InChIKeyAYQBMZNSJPVADT-UHFFFAOYSA-N
MW216.47 g/mol
LogP2.97
Rot. Bonds

About 4-bromo-2-chlorobenzonitrile

4-bromo-2-chlorobenzonitrile (PubChem CID 7010420) has the molecular formula C7H3BrClN and a molecular weight of 216.47 g/mol. Its IUPAC name is 4-bromo-2-chlorobenzonitrile.

Molecular Properties

Compound Name4-bromo-2-chlorobenzonitrile
PubChem CID7010420
Molecular FormulaC7H3BrClN
Molecular Weight216.47 g/mol
Exact Mass214.91
IUPAC Name4-bromo-2-chlorobenzonitrile
SMILESN#Cc1ccc(Br)cc1Cl
InChIInChI=1S/C7H3BrClN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
InChIKeyAYQBMZNSJPVADT-UHFFFAOYSA-N
XLogP2.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chlorobenzonitrile?
The IUPAC name of 4-bromo-2-chlorobenzonitrile (CID 7010420) is 4-bromo-2-chlorobenzonitrile.
What is the SMILES notation for 4-bromo-2-chlorobenzonitrile?
The canonical SMILES for 4-bromo-2-chlorobenzonitrile is N#Cc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chlorobenzonitrile?
The InChIKey is AYQBMZNSJPVADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H.
What are the key properties of 4-bromo-2-chlorobenzonitrile?
4-bromo-2-chlorobenzonitrile has a molecular weight of 216.47 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chlorobenzonitrile is sourced from PubChem (CID 7010420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).