2,3-dichloro-6-(furan-2-yl)benzonitrile

C11H5Cl2NO — CID 168528808

IUPAC2,3-dichloro-6-(furan-2-yl)benzonitrile
SMILESN#Cc1c(-c2ccco2)ccc(Cl)c1Cl
InChIInChI=1S/C11H5Cl2NO/c12-9-4-3-7(8(6-14)11(9)13)10-2-1-5-15-10/h1-5H
InChIKeyYIJFZTBIMXDUOZ-UHFFFAOYSA-N
MW238.07 g/mol
LogP4.13
Rot. Bonds1

About 2,3-dichloro-6-(furan-2-yl)benzonitrile

2,3-dichloro-6-(furan-2-yl)benzonitrile (PubChem CID 168528808) has the molecular formula C11H5Cl2NO and a molecular weight of 238.07 g/mol. Its IUPAC name is 2,3-dichloro-6-(furan-2-yl)benzonitrile.

Molecular Properties

Compound Name2,3-dichloro-6-(furan-2-yl)benzonitrile
PubChem CID168528808
Molecular FormulaC11H5Cl2NO
Molecular Weight238.07 g/mol
Exact Mass236.97
IUPAC Name2,3-dichloro-6-(furan-2-yl)benzonitrile
SMILESN#Cc1c(-c2ccco2)ccc(Cl)c1Cl
InChIInChI=1S/C11H5Cl2NO/c12-9-4-3-7(8(6-14)11(9)13)10-2-1-5-15-10/h1-5H
InChIKeyYIJFZTBIMXDUOZ-UHFFFAOYSA-N
XLogP4.13
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-(furan-2-yl)benzonitrile?
The IUPAC name of 2,3-dichloro-6-(furan-2-yl)benzonitrile (CID 168528808) is 2,3-dichloro-6-(furan-2-yl)benzonitrile.
What is the SMILES notation for 2,3-dichloro-6-(furan-2-yl)benzonitrile?
The canonical SMILES for 2,3-dichloro-6-(furan-2-yl)benzonitrile is N#Cc1c(-c2ccco2)ccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-6-(furan-2-yl)benzonitrile?
The InChIKey is YIJFZTBIMXDUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2NO/c12-9-4-3-7(8(6-14)11(9)13)10-2-1-5-15-10/h1-5H.
What are the key properties of 2,3-dichloro-6-(furan-2-yl)benzonitrile?
2,3-dichloro-6-(furan-2-yl)benzonitrile has a molecular weight of 238.07 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-(furan-2-yl)benzonitrile is sourced from PubChem (CID 168528808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).