2-(2,5-dichlorothiophen-3-yl)benzonitrile

C11H5Cl2NS — CID 125483376

IUPAC2-(2,5-dichlorothiophen-3-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C11H5Cl2NS/c12-10-5-9(11(13)15-10)8-4-2-1-3-7(8)6-14/h1-5H
InChIKeyMPYVBUYOJHBLCS-UHFFFAOYSA-N
MW254.14 g/mol
LogP4.59
Rot. Bonds1

About 2-(2,5-dichlorothiophen-3-yl)benzonitrile

2-(2,5-dichlorothiophen-3-yl)benzonitrile (PubChem CID 125483376) has the molecular formula C11H5Cl2NS and a molecular weight of 254.14 g/mol. Its IUPAC name is 2-(2,5-dichlorothiophen-3-yl)benzonitrile.

Molecular Properties

Compound Name2-(2,5-dichlorothiophen-3-yl)benzonitrile
PubChem CID125483376
Molecular FormulaC11H5Cl2NS
Molecular Weight254.14 g/mol
Exact Mass252.95
IUPAC Name2-(2,5-dichlorothiophen-3-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C11H5Cl2NS/c12-10-5-9(11(13)15-10)8-4-2-1-3-7(8)6-14/h1-5H
InChIKeyMPYVBUYOJHBLCS-UHFFFAOYSA-N
XLogP4.59
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorothiophen-3-yl)benzonitrile?
The IUPAC name of 2-(2,5-dichlorothiophen-3-yl)benzonitrile (CID 125483376) is 2-(2,5-dichlorothiophen-3-yl)benzonitrile.
What is the SMILES notation for 2-(2,5-dichlorothiophen-3-yl)benzonitrile?
The canonical SMILES for 2-(2,5-dichlorothiophen-3-yl)benzonitrile is N#Cc1ccccc1-c1cc(Cl)sc1Cl.
What is the InChIKey of 2-(2,5-dichlorothiophen-3-yl)benzonitrile?
The InChIKey is MPYVBUYOJHBLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2NS/c12-10-5-9(11(13)15-10)8-4-2-1-3-7(8)6-14/h1-5H.
What are the key properties of 2-(2,5-dichlorothiophen-3-yl)benzonitrile?
2-(2,5-dichlorothiophen-3-yl)benzonitrile has a molecular weight of 254.14 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorothiophen-3-yl)benzonitrile is sourced from PubChem (CID 125483376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).