2-bromo-5-chlorobenzonitrile

C7H3BrClN — CID 10330944

IUPAC2-bromo-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1Br
InChIInChI=1S/C7H3BrClN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
InChIKeyCTSHRMBLMKPDAG-UHFFFAOYSA-N
MW216.47 g/mol
LogP2.97
Rot. Bonds

About 2-bromo-5-chlorobenzonitrile

2-bromo-5-chlorobenzonitrile (PubChem CID 10330944) has the molecular formula C7H3BrClN and a molecular weight of 216.47 g/mol. Its IUPAC name is 2-bromo-5-chlorobenzonitrile.

Molecular Properties

Compound Name2-bromo-5-chlorobenzonitrile
PubChem CID10330944
Molecular FormulaC7H3BrClN
Molecular Weight216.47 g/mol
Exact Mass214.91
IUPAC Name2-bromo-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1Br
InChIInChI=1S/C7H3BrClN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
InChIKeyCTSHRMBLMKPDAG-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 2-bromo-5-chlorobenzonitrile?
The IUPAC name of 2-bromo-5-chlorobenzonitrile (CID 10330944) is 2-bromo-5-chlorobenzonitrile.
What is the SMILES notation for 2-bromo-5-chlorobenzonitrile?
The canonical SMILES for 2-bromo-5-chlorobenzonitrile is N#Cc1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chlorobenzonitrile?
The InChIKey is CTSHRMBLMKPDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H.
What are the key properties of 2-bromo-5-chlorobenzonitrile?
2-bromo-5-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 2-bromo-5-chlorobenzonitrile is sourced from PubChem (CID 10330944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).