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

C12H6ClF3N2 — CID 11000143

IUPAC2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H6ClF3N2/c13-9-3-1-7(2-4-9)11-8(6-17)5-10(18-11)12(14,15)16/h1-5,18H
InChIKeyZXLQPJBQKJYNGN-UHFFFAOYSA-N
MW270.64 g/mol
LogP4.23
Rot. Bonds1

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

2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (PubChem CID 11000143) has the molecular formula C12H6ClF3N2 and a molecular weight of 270.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
PubChem CID11000143
Molecular FormulaC12H6ClF3N2
Molecular Weight270.64 g/mol
Exact Mass270.02
IUPAC Name2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H6ClF3N2/c13-9-3-1-7(2-4-9)11-8(6-17)5-10(18-11)12(14,15)16/h1-5,18H
InChIKeyZXLQPJBQKJYNGN-UHFFFAOYSA-N
XLogP4.23
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CID 11000143) is 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile is N#Cc1cc(C(F)(F)F)[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile?
The InChIKey is ZXLQPJBQKJYNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2/c13-9-3-1-7(2-4-9)11-8(6-17)5-10(18-11)12(14,15)16/h1-5,18H.
What are the key properties of 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile?
2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile has a molecular weight of 270.64 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 11000143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).