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

C11H6BrNO — CID 23156952

IUPAC4-(5-bromofuran-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(Br)o2)cc1
InChIInChI=1S/C11H6BrNO/c12-11-6-5-10(14-11)9-3-1-8(7-13)2-4-9/h1-6H
InChIKeyRSHXAIOYYPMXOA-UHFFFAOYSA-N
MW248.08 g/mol
LogP3.58
Rot. Bonds1

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

4-(5-bromofuran-2-yl)benzonitrile (PubChem CID 23156952) has the molecular formula C11H6BrNO and a molecular weight of 248.08 g/mol. Its IUPAC name is 4-(5-bromofuran-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-bromofuran-2-yl)benzonitrile
PubChem CID23156952
Molecular FormulaC11H6BrNO
Molecular Weight248.08 g/mol
Exact Mass246.96
IUPAC Name4-(5-bromofuran-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(Br)o2)cc1
InChIInChI=1S/C11H6BrNO/c12-11-6-5-10(14-11)9-3-1-8(7-13)2-4-9/h1-6H
InChIKeyRSHXAIOYYPMXOA-UHFFFAOYSA-N
XLogP3.58
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromofuran-2-yl)benzonitrile?
The IUPAC name of 4-(5-bromofuran-2-yl)benzonitrile (CID 23156952) is 4-(5-bromofuran-2-yl)benzonitrile.
What is the SMILES notation for 4-(5-bromofuran-2-yl)benzonitrile?
The canonical SMILES for 4-(5-bromofuran-2-yl)benzonitrile is N#Cc1ccc(-c2ccc(Br)o2)cc1.
What is the InChIKey of 4-(5-bromofuran-2-yl)benzonitrile?
The InChIKey is RSHXAIOYYPMXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrNO/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-bromofuran-2-yl)benzonitrile?
4-(5-bromofuran-2-yl)benzonitrile has a molecular weight of 248.08 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromofuran-2-yl)benzonitrile is sourced from PubChem (CID 23156952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).