2-(3-chlorophenyl)-5-phenyl-1H-pyrrole-3-carbonitrile

C17H11ClN2 — CID 151791363

IUPAC2-(3-chlorophenyl)-5-phenyl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C17H11ClN2/c18-15-8-4-7-13(9-15)17-14(11-19)10-16(20-17)12-5-2-1-3-6-12/h1-10,20H
InChIKeyRWRLSDLODVCZEE-UHFFFAOYSA-N
MW278.74 g/mol
LogP4.87
Rot. Bonds2

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

2-(3-chlorophenyl)-5-phenyl-1H-pyrrole-3-carbonitrile (PubChem CID 151791363) has the molecular formula C17H11ClN2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-phenyl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-phenyl-1H-pyrrole-3-carbonitrile
PubChem CID151791363
Molecular FormulaC17H11ClN2
Molecular Weight278.74 g/mol
Exact Mass278.06
IUPAC Name2-(3-chlorophenyl)-5-phenyl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C17H11ClN2/c18-15-8-4-7-13(9-15)17-14(11-19)10-16(20-17)12-5-2-1-3-6-12/h1-10,20H
InChIKeyRWRLSDLODVCZEE-UHFFFAOYSA-N
XLogP4.87
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-phenyl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-(3-chlorophenyl)-5-phenyl-1H-pyrrole-3-carbonitrile (CID 151791363) is 2-(3-chlorophenyl)-5-phenyl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-5-phenyl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-(3-chlorophenyl)-5-phenyl-1H-pyrrole-3-carbonitrile is N#Cc1cc(-c2ccccc2)[nH]c1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-phenyl-1H-pyrrole-3-carbonitrile?
The InChIKey is RWRLSDLODVCZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2/c18-15-8-4-7-13(9-15)17-14(11-19)10-16(20-17)12-5-2-1-3-6-12/h1-10,20H.
What are the key properties of 2-(3-chlorophenyl)-5-phenyl-1H-pyrrole-3-carbonitrile?
2-(3-chlorophenyl)-5-phenyl-1H-pyrrole-3-carbonitrile has a molecular weight of 278.74 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-phenyl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 151791363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).