2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile

C12H6ClF3N2 — CID 139759859

IUPAC2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile
SMILESN#CC1(c2ccc(Cl)cc2)C=CC(C(F)(F)F)=N1
InChIInChI=1S/C12H6ClF3N2/c13-9-3-1-8(2-4-9)11(7-17)6-5-10(18-11)12(14,15)16/h1-6H
InChIKeyOETGETDUAXZDCB-UHFFFAOYSA-N
MW270.64 g/mol
LogP3.63
Rot. Bonds1

About 2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile

2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile (PubChem CID 139759859) has the molecular formula C12H6ClF3N2 and a molecular weight of 270.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile
PubChem CID139759859
Molecular FormulaC12H6ClF3N2
Molecular Weight270.64 g/mol
Exact Mass270.02
IUPAC Name2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile
SMILESN#CC1(c2ccc(Cl)cc2)C=CC(C(F)(F)F)=N1
InChIInChI=1S/C12H6ClF3N2/c13-9-3-1-8(2-4-9)11(7-17)6-5-10(18-11)12(14,15)16/h1-6H
InChIKeyOETGETDUAXZDCB-UHFFFAOYSA-N
XLogP3.63
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrrole-4-carbonitrile
CID 15191073
4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile
CID 150900481
5-(4-Chlorophenyl)-2-(trifluoromethyl)pyrrole-2-carbonitrile
CID 153887640
2-(4-Chlorophenyl)-2-(trifluoromethyl)imidazole
CID 174409445
2-(3-Chlorophenyl)-3-methylazirine-2-carbonitrile
CID 101479140
2-(4-Chlorophenyl)-3-methylazirine-2-carbonitrile
CID 135005366
(2S)-2-(4-chlorophenyl)-3-methylazirine-2-carbonitrile
CID 139038288
2-Phenyl-5-(trifluoromethyl)pyrrole-2-carbonitrile
CID 152259472
5-Bromo-5-(4-chlorophenyl)pyrrole-2,4-dicarbonitrile
CID 139695000
4-Bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile
CID 139754387
2-Chloro-2-(4-chlorophenyl)pyrrole-3-carbonitrile
CID 153887631

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile?
The IUPAC name of 2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile (CID 139759859) is 2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile is N#CC1(c2ccc(Cl)cc2)C=CC(C(F)(F)F)=N1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile?
The InChIKey is OETGETDUAXZDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2/c13-9-3-1-8(2-4-9)11(7-17)6-5-10(18-11)12(14,15)16/h1-6H.
What are the key properties of 2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile?
2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile has a molecular weight of 270.64 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 139759859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).