5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile

C11H6Cl2N2 — CID 15010168

IUPAC5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(Cl)[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C11H6Cl2N2/c12-9-3-1-7(2-4-9)11-8(6-14)5-10(13)15-11/h1-5,15H
InChIKeySDABJDAMMJHNCS-UHFFFAOYSA-N
MW237.09 g/mol
LogP3.86
Rot. Bonds1

About 5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile

5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile (PubChem CID 15010168) has the molecular formula C11H6Cl2N2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
PubChem CID15010168
Molecular FormulaC11H6Cl2N2
Molecular Weight237.09 g/mol
Exact Mass235.99
IUPAC Name5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(Cl)[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C11H6Cl2N2/c12-9-3-1-7(2-4-9)11-8(6-14)5-10(13)15-11/h1-5,15H
InChIKeySDABJDAMMJHNCS-UHFFFAOYSA-N
XLogP3.86
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile (CID 15010168) is 5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile is N#Cc1cc(Cl)[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile?
The InChIKey is SDABJDAMMJHNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2/c12-9-3-1-7(2-4-9)11-8(6-14)5-10(13)15-11/h1-5,15H.
What are the key properties of 5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile?
5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile has a molecular weight of 237.09 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 15010168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).