2-bromo-4-chlorobenzonitrile

C7H3BrClN — CID 23498524

IUPAC2-bromo-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1Br
InChIInChI=1S/C7H3BrClN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H
InChIKeyPEAQTMSQUXACRN-UHFFFAOYSA-N
MW216.47 g/mol
LogP2.97
Rot. Bonds

About 2-bromo-4-chlorobenzonitrile

2-bromo-4-chlorobenzonitrile (PubChem CID 23498524) has the molecular formula C7H3BrClN and a molecular weight of 216.47 g/mol. Its IUPAC name is 2-bromo-4-chlorobenzonitrile.

Molecular Properties

Compound Name2-bromo-4-chlorobenzonitrile
PubChem CID23498524
Molecular FormulaC7H3BrClN
Molecular Weight216.47 g/mol
Exact Mass214.91
IUPAC Name2-bromo-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1Br
InChIInChI=1S/C7H3BrClN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H
InChIKeyPEAQTMSQUXACRN-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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Related Compounds

3-Bromo-4-chlorobenzonitrile
CID 29939720
2-Bromo-4-chloro-1-methylbenzene
CID 609898
4-Bromo-2-chlorobenzonitrile
CID 7010420
4-Bromo-2,6-dichlorobenzonitrile
CID 13536153
3-Bromo-5-chlorobenzonitrile
CID 15965893
2-Bromo-6-chlorobenzonitrile
CID 81054
2-Bromo-5-chlorobenzonitrile
CID 10330944
2-Bromo-1-(bromomethyl)-4-chlorobenzene
CID 10613066
2-Bromo-2-(4-chlorophenyl)acetonitrile
CID 15185681
4-Bromo-3-chlorobenzonitrile
CID 16659395
2-Bromo-4-chloro-1-(trifluoromethyl)benzene
CID 20269857
5-Bromo-2-chlorobenzonitrile
CID 21525431

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chlorobenzonitrile?
The IUPAC name of 2-bromo-4-chlorobenzonitrile (CID 23498524) is 2-bromo-4-chlorobenzonitrile.
What is the SMILES notation for 2-bromo-4-chlorobenzonitrile?
The canonical SMILES for 2-bromo-4-chlorobenzonitrile is N#Cc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chlorobenzonitrile?
The InChIKey is PEAQTMSQUXACRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H.
What are the key properties of 2-bromo-4-chlorobenzonitrile?
2-bromo-4-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-4-chlorobenzonitrile is sourced from PubChem (CID 23498524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).