4-(5-bromothiophen-2-yl)benzonitrile

C11H6BrNS — CID 11737137

IUPAC4-(5-bromothiophen-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(Br)s2)cc1
InChIInChI=1S/C11H6BrNS/c12-11-6-5-10(14-11)9-3-1-8(7-13)2-4-9/h1-6H
InChIKeyXZVRXWYTEUTNOC-UHFFFAOYSA-N
MW264.15 g/mol
LogP4.05
Rot. Bonds1

About 4-(5-bromothiophen-2-yl)benzonitrile

4-(5-bromothiophen-2-yl)benzonitrile (PubChem CID 11737137) has the molecular formula C11H6BrNS and a molecular weight of 264.15 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)benzonitrile
PubChem CID11737137
Molecular FormulaC11H6BrNS
Molecular Weight264.15 g/mol
Exact Mass262.94
IUPAC Name4-(5-bromothiophen-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(Br)s2)cc1
InChIInChI=1S/C11H6BrNS/c12-11-6-5-10(14-11)9-3-1-8(7-13)2-4-9/h1-6H
InChIKeyXZVRXWYTEUTNOC-UHFFFAOYSA-N
XLogP4.05
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)benzonitrile?
The IUPAC name of 4-(5-bromothiophen-2-yl)benzonitrile (CID 11737137) is 4-(5-bromothiophen-2-yl)benzonitrile.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)benzonitrile?
The canonical SMILES for 4-(5-bromothiophen-2-yl)benzonitrile is N#Cc1ccc(-c2ccc(Br)s2)cc1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)benzonitrile?
The InChIKey is XZVRXWYTEUTNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrNS/c12-11-6-5-10(14-11)9-3-1-8(7-13)2-4-9/h1-6H.
What are the key properties of 4-(5-bromothiophen-2-yl)benzonitrile?
4-(5-bromothiophen-2-yl)benzonitrile has a molecular weight of 264.15 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)benzonitrile is sourced from PubChem (CID 11737137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).