2-chloro-4-methyl-3H-pyrrole

C₅H₆ClN — CID 154552165

About 2-chloro-4-methyl-3H-pyrrole

2-chloro-4-methyl-3H-pyrrole (PubChem CID 154552165) has the molecular formula C₅H₆ClN and a molecular weight of 115.56 g/mol. Its IUPAC name is 2-chloro-4-methyl-3H-pyrrole.

Molecular Properties

• Compound Name: 2-chloro-4-methyl-3H-pyrrole
• PubChem CID: 154552165
• Molecular Formula: C₅H₆ClN
• Molecular Weight: 115.56 g/mol
• Exact Mass: 115.02
• IUPAC Name: 2-chloro-4-methyl-3H-pyrrole
• SMILES: CC1=CN=C(Cl)C1
• InChI: InChI=1S/C5H6ClN/c1-4-2-5(6)7-3-4/h3H,2H2,1H3
• InChIKey: JIGFRBGEAHZPPG-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	115.56
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-3H-pyrrole?

The IUPAC name of 2-chloro-4-methyl-3H-pyrrole (CID 154552165) is 2-chloro-4-methyl-3H-pyrrole.

What is the SMILES notation for 2-chloro-4-methyl-3H-pyrrole?

The canonical SMILES for 2-chloro-4-methyl-3H-pyrrole is CC1=CN=C(Cl)C1.

What is the InChIKey of 2-chloro-4-methyl-3H-pyrrole?

The InChIKey is JIGFRBGEAHZPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN/c1-4-2-5(6)7-3-4/h3H,2H2,1H3.

What are the key properties of 2-chloro-4-methyl-3H-pyrrole?

2-chloro-4-methyl-3H-pyrrole has a molecular weight of 115.56 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-methyl-3H-pyrrole is sourced from PubChem (CID 154552165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154552165 — identifiers, structure, computed properties (public domain)

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