5-(4-bromophenyl)furan-2-carbonitrile

C11H6BrNO — CID 4625493

IUPAC5-(4-bromophenyl)furan-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H6BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H
InChIKeyGJJXDBAOTCRRSG-UHFFFAOYSA-N
MW248.08 g/mol
LogP3.58
Rot. Bonds1

About 5-(4-bromophenyl)furan-2-carbonitrile

5-(4-bromophenyl)furan-2-carbonitrile (PubChem CID 4625493) has the molecular formula C11H6BrNO and a molecular weight of 248.08 g/mol. Its IUPAC name is 5-(4-bromophenyl)furan-2-carbonitrile.

Molecular Properties

Compound Name5-(4-bromophenyl)furan-2-carbonitrile
PubChem CID4625493
Molecular FormulaC11H6BrNO
Molecular Weight248.08 g/mol
Exact Mass246.96
IUPAC Name5-(4-bromophenyl)furan-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H6BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H
InChIKeyGJJXDBAOTCRRSG-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 5-(4-bromophenyl)furan-2-carbonitrile?
The IUPAC name of 5-(4-bromophenyl)furan-2-carbonitrile (CID 4625493) is 5-(4-bromophenyl)furan-2-carbonitrile.
What is the SMILES notation for 5-(4-bromophenyl)furan-2-carbonitrile?
The canonical SMILES for 5-(4-bromophenyl)furan-2-carbonitrile is N#Cc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 5-(4-bromophenyl)furan-2-carbonitrile?
The InChIKey is GJJXDBAOTCRRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H.
What are the key properties of 5-(4-bromophenyl)furan-2-carbonitrile?
5-(4-bromophenyl)furan-2-carbonitrile 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 5-(4-bromophenyl)furan-2-carbonitrile is sourced from PubChem (CID 4625493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).