4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

C12H4BrCl2F3N2 — CID 10883497

IUPAC4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c(-c2cc(Cl)cc(Cl)c2)[nH]c(C(F)(F)F)c1Br
InChIInChI=1S/C12H4BrCl2F3N2/c13-9-8(4-19)10(20-11(9)12(16,17)18)5-1-6(14)3-7(15)2-5/h1-3,20H
InChIKeyZCRHETRKYLZNGU-UHFFFAOYSA-N
MW383.98 g/mol
LogP5.64
Rot. Bonds1

About 4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (PubChem CID 10883497) has the molecular formula C12H4BrCl2F3N2 and a molecular weight of 383.98 g/mol. Its IUPAC name is 4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
PubChem CID10883497
Molecular FormulaC12H4BrCl2F3N2
Molecular Weight383.98 g/mol
Exact Mass381.89
IUPAC Name4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c(-c2cc(Cl)cc(Cl)c2)[nH]c(C(F)(F)F)c1Br
InChIInChI=1S/C12H4BrCl2F3N2/c13-9-8(4-19)10(20-11(9)12(16,17)18)5-1-6(14)3-7(15)2-5/h1-3,20H
InChIKeyZCRHETRKYLZNGU-UHFFFAOYSA-N
XLogP5.64
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.98
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-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 4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile?
The IUPAC name of 4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CID 10883497) is 4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile is N#Cc1c(-c2cc(Cl)cc(Cl)c2)[nH]c(C(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile?
The InChIKey is ZCRHETRKYLZNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4BrCl2F3N2/c13-9-8(4-19)10(20-11(9)12(16,17)18)5-1-6(14)3-7(15)2-5/h1-3,20H.
What are the key properties of 4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile?
4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile has a molecular weight of 383.98 g/mol, XLogP of 5.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 10883497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).