3-chloro-2-methyl-2H-pyrrole

C5H6ClN — CID 69181136

IUPAC3-chloro-2-methyl-2H-pyrrole
SMILESCC1N=CC=C1Cl
InChIInChI=1S/C5H6ClN/c1-4-5(6)2-3-7-4/h2-4H,1H3
InChIKeyCVICFSGIYDXDFW-UHFFFAOYSA-N
MW115.56 g/mol
LogP1.58
Rot. Bonds

About 3-chloro-2-methyl-2H-pyrrole

3-chloro-2-methyl-2H-pyrrole (PubChem CID 69181136) has the molecular formula C5H6ClN and a molecular weight of 115.56 g/mol. Its IUPAC name is 3-chloro-2-methyl-2H-pyrrole.

Molecular Properties

Compound Name3-chloro-2-methyl-2H-pyrrole
PubChem CID69181136
Molecular FormulaC5H6ClN
Molecular Weight115.56 g/mol
Exact Mass115.02
IUPAC Name3-chloro-2-methyl-2H-pyrrole
SMILESCC1N=CC=C1Cl
InChIInChI=1S/C5H6ClN/c1-4-5(6)2-3-7-4/h2-4H,1H3
InChIKeyCVICFSGIYDXDFW-UHFFFAOYSA-N
XLogP1.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.56
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-chloro-2-methyl-2H-pyrrole 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 3-chloro-2-methyl-2H-pyrrole?
The IUPAC name of 3-chloro-2-methyl-2H-pyrrole (CID 69181136) is 3-chloro-2-methyl-2H-pyrrole.
What is the SMILES notation for 3-chloro-2-methyl-2H-pyrrole?
The canonical SMILES for 3-chloro-2-methyl-2H-pyrrole is CC1N=CC=C1Cl.
What is the InChIKey of 3-chloro-2-methyl-2H-pyrrole?
The InChIKey is CVICFSGIYDXDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN/c1-4-5(6)2-3-7-4/h2-4H,1H3.
What are the key properties of 3-chloro-2-methyl-2H-pyrrole?
3-chloro-2-methyl-2H-pyrrole has a molecular weight of 115.56 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-2H-pyrrole is sourced from PubChem (CID 69181136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).