2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole

C13H14ClNO2 — CID 175418287

IUPAC2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole
SMILESCOc1cc(Cl)c(-c2cccn2C)cc1OC
InChIInChI=1S/C13H14ClNO2/c1-15-6-4-5-11(15)9-7-12(16-2)13(17-3)8-10(9)14/h4-8H,1-3H3
InChIKeyFPDPDZRDTKAWAT-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.36
Rot. Bonds3

About 2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole

2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole (PubChem CID 175418287) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole.

Molecular Properties

Compound Name2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole
PubChem CID175418287
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole
SMILESCOc1cc(Cl)c(-c2cccn2C)cc1OC
InChIInChI=1S/C13H14ClNO2/c1-15-6-4-5-11(15)9-7-12(16-2)13(17-3)8-10(9)14/h4-8H,1-3H3
InChIKeyFPDPDZRDTKAWAT-UHFFFAOYSA-N
XLogP3.36
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole 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 2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole?
The IUPAC name of 2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole (CID 175418287) is 2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole.
What is the SMILES notation for 2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole?
The canonical SMILES for 2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole is COc1cc(Cl)c(-c2cccn2C)cc1OC.
What is the InChIKey of 2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole?
The InChIKey is FPDPDZRDTKAWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-15-6-4-5-11(15)9-7-12(16-2)13(17-3)8-10(9)14/h4-8H,1-3H3.
What are the key properties of 2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole?
2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole has a molecular weight of 251.71 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole is sourced from PubChem (CID 175418287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).