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

C11H5Cl3N2 — CID 15010180

IUPAC2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c(Cl)[nH]c(Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C11H5Cl3N2/c12-7-3-1-6(2-4-7)9-8(5-15)10(13)16-11(9)14/h1-4,16H
InChIKeySFLUXOWNIOCVRR-UHFFFAOYSA-N
MW271.53 g/mol
LogP4.51
Rot. Bonds1

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

2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile (PubChem CID 15010180) has the molecular formula C11H5Cl3N2 and a molecular weight of 271.53 g/mol. Its IUPAC name is 2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
PubChem CID15010180
Molecular FormulaC11H5Cl3N2
Molecular Weight271.53 g/mol
Exact Mass269.95
IUPAC Name2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c(Cl)[nH]c(Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C11H5Cl3N2/c12-7-3-1-6(2-4-7)9-8(5-15)10(13)16-11(9)14/h1-4,16H
InChIKeySFLUXOWNIOCVRR-UHFFFAOYSA-N
XLogP4.51
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile (CID 15010180) is 2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile is N#Cc1c(Cl)[nH]c(Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile?
The InChIKey is SFLUXOWNIOCVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3N2/c12-7-3-1-6(2-4-7)9-8(5-15)10(13)16-11(9)14/h1-4,16H.
What are the key properties of 2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile?
2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile has a molecular weight of 271.53 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 15010180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).