1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole

C15H12ClNS — CID 3021800

IUPAC1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole
SMILESCc1ccc(-c2cccs2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNS/c1-11-4-9-14(15-3-2-10-18-15)17(11)13-7-5-12(16)6-8-13/h2-10H,1H3
InChIKeyWEBLDMGPLLTAHC-UHFFFAOYSA-N
MW273.79 g/mol
LogP5.17
Rot. Bonds2

About 1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole

1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole (PubChem CID 3021800) has the molecular formula C15H12ClNS and a molecular weight of 273.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole
PubChem CID3021800
Molecular FormulaC15H12ClNS
Molecular Weight273.79 g/mol
Exact Mass273.04
IUPAC Name1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole
SMILESCc1ccc(-c2cccs2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNS/c1-11-4-9-14(15-3-2-10-18-15)17(11)13-7-5-12(16)6-8-13/h2-10H,1H3
InChIKeyWEBLDMGPLLTAHC-UHFFFAOYSA-N
XLogP5.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.79
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

1-Phenyl-2,5-di-2-thienyl-1H-pyrrole
CID 5144812
1H-Pyrrole, 1-(4-chlorophenyl)-2-(5-methyl-2-thienyl)-5-phenyl-
CID 3021803
1H-Pyrrole, 1-(4-chlorophenyl)-2-(4-methyl-2-thienyl)-5-phenyl-
CID 3021805
7-Chloro-5-methylthieno[3,2-b]pyridine
CID 56587804
1-(4-Chlorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812744
1-(4-Fluorophenyl)-2,5-dithiophen-2-ylpyrrole
CID 86204786
3-Chloro-2,5-dimethylthiophene;2-methyl-6-(trifluoromethyl)pyridine
CID 91291413
1-Phenyl-2-thiophen-2-yl-5-(trifluoromethyl)pyrrole
CID 175226216
2-(5-Chloro-2-thienyl)-6-methylpyridine
CID 49761802
2-(5-Chlorthienyl)-5-methylpyrrol
CID 85894275
2-Chloro-3-fluoro-6-thiophen-2-ylpyridine
CID 85589068
1-(3-Fluorophenyl)-2,5-dithiophen-2-ylpyrrole
CID 101894831

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole?
The IUPAC name of 1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole (CID 3021800) is 1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole?
The canonical SMILES for 1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole is Cc1ccc(-c2cccs2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole?
The InChIKey is WEBLDMGPLLTAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNS/c1-11-4-9-14(15-3-2-10-18-15)17(11)13-7-5-12(16)6-8-13/h2-10H,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole?
1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole has a molecular weight of 273.79 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole is sourced from PubChem (CID 3021800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).