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

C11H6ClNO — CID 4013651

IUPAC5-(4-chlorophenyl)furan-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H6ClNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H
InChIKeyJTGMARZVNVXBRE-UHFFFAOYSA-N
MW203.63 g/mol
LogP3.47
Rot. Bonds1

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

5-(4-chlorophenyl)furan-2-carbonitrile (PubChem CID 4013651) has the molecular formula C11H6ClNO and a molecular weight of 203.63 g/mol. Its IUPAC name is 5-(4-chlorophenyl)furan-2-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)furan-2-carbonitrile
PubChem CID4013651
Molecular FormulaC11H6ClNO
Molecular Weight203.63 g/mol
Exact Mass203.01
IUPAC Name5-(4-chlorophenyl)furan-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H6ClNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H
InChIKeyJTGMARZVNVXBRE-UHFFFAOYSA-N
XLogP3.47
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)furan-2-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)furan-2-carbonitrile (CID 4013651) is 5-(4-chlorophenyl)furan-2-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)furan-2-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)furan-2-carbonitrile is N#Cc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)furan-2-carbonitrile?
The InChIKey is JTGMARZVNVXBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO/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-chlorophenyl)furan-2-carbonitrile?
5-(4-chlorophenyl)furan-2-carbonitrile has a molecular weight of 203.63 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)furan-2-carbonitrile is sourced from PubChem (CID 4013651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).