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

C5H6ClN — CID 170240320

IUPAC5-chloro-3-methyl-2H-pyrrole
SMILESCC1=CC(Cl)=NC1
InChIInChI=1S/C5H6ClN/c1-4-2-5(6)7-3-4/h2H,3H2,1H3
InChIKeyZHYLMBYPYAXEKU-UHFFFAOYSA-N
MW115.56 g/mol
LogP1.58
Rot. Bonds

About 5-chloro-3-methyl-2H-pyrrole

5-chloro-3-methyl-2H-pyrrole (PubChem CID 170240320) has the molecular formula C5H6ClN and a molecular weight of 115.56 g/mol. Its IUPAC name is 5-chloro-3-methyl-2H-pyrrole.

Molecular Properties

Compound Name5-chloro-3-methyl-2H-pyrrole
PubChem CID170240320
Molecular FormulaC5H6ClN
Molecular Weight115.56 g/mol
Exact Mass115.02
IUPAC Name5-chloro-3-methyl-2H-pyrrole
SMILESCC1=CC(Cl)=NC1
InChIInChI=1S/C5H6ClN/c1-4-2-5(6)7-3-4/h2H,3H2,1H3
InChIKeyZHYLMBYPYAXEKU-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-2H-pyrrole?
The IUPAC name of 5-chloro-3-methyl-2H-pyrrole (CID 170240320) is 5-chloro-3-methyl-2H-pyrrole.
What is the SMILES notation for 5-chloro-3-methyl-2H-pyrrole?
The canonical SMILES for 5-chloro-3-methyl-2H-pyrrole is CC1=CC(Cl)=NC1.
What is the InChIKey of 5-chloro-3-methyl-2H-pyrrole?
The InChIKey is ZHYLMBYPYAXEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN/c1-4-2-5(6)7-3-4/h2H,3H2,1H3.
What are the key properties of 5-chloro-3-methyl-2H-pyrrole?
5-chloro-3-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 5-chloro-3-methyl-2H-pyrrole is sourced from PubChem (CID 170240320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).