5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile

C14H9Br2N — CID 175534790

IUPAC5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile
SMILESCc1cc(Br)ccc1-c1ccc(Br)cc1C#N
InChIInChI=1S/C14H9Br2N/c1-9-6-11(15)2-4-13(9)14-5-3-12(16)7-10(14)8-17/h2-7H,1H3
InChIKeyVEXLRMMDRPELFY-UHFFFAOYSA-N
MW351.04 g/mol
LogP5.06
Rot. Bonds1

About 5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile

5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile (PubChem CID 175534790) has the molecular formula C14H9Br2N and a molecular weight of 351.04 g/mol. Its IUPAC name is 5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile.

Molecular Properties

Compound Name5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile
PubChem CID175534790
Molecular FormulaC14H9Br2N
Molecular Weight351.04 g/mol
Exact Mass348.91
IUPAC Name5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile
SMILESCc1cc(Br)ccc1-c1ccc(Br)cc1C#N
InChIInChI=1S/C14H9Br2N/c1-9-6-11(15)2-4-13(9)14-5-3-12(16)7-10(14)8-17/h2-7H,1H3
InChIKeyVEXLRMMDRPELFY-UHFFFAOYSA-N
XLogP5.06
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.04
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-bromo-2-(2,5-dimethylpyrrol-1-yl)benzonitrile
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1-(4-bromo-2-methylphenyl)-2,3-dimethylbenzene
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2-(4-bromo-2-methylphenoxy)-4-methylbenzonitrile
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5-bromo-2-(1-methylcyclobutyl)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile?
The IUPAC name of 5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile (CID 175534790) is 5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile.
What is the SMILES notation for 5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile?
The canonical SMILES for 5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile is Cc1cc(Br)ccc1-c1ccc(Br)cc1C#N.
What is the InChIKey of 5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile?
The InChIKey is VEXLRMMDRPELFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N/c1-9-6-11(15)2-4-13(9)14-5-3-12(16)7-10(14)8-17/h2-7H,1H3.
What are the key properties of 5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile?
5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile has a molecular weight of 351.04 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile is sourced from PubChem (CID 175534790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).