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

C5H6ClN — CID 154552165

IUPAC2-chloro-4-methyl-3H-pyrrole
SMILESCC1=CN=C(Cl)C1
InChIInChI=1S/C5H6ClN/c1-4-2-5(6)7-3-4/h3H,2H2,1H3
InChIKeyJIGFRBGEAHZPPG-UHFFFAOYSA-N
MW115.56 g/mol
LogP1.93
Rot. Bonds

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 Name2-chloro-4-methyl-3H-pyrrole
PubChem CID154552165
Molecular FormulaC5H6ClN
Molecular Weight115.56 g/mol
Exact Mass115.02
IUPAC Name2-chloro-4-methyl-3H-pyrrole
SMILESCC1=CN=C(Cl)C1
InChIInChI=1S/C5H6ClN/c1-4-2-5(6)7-3-4/h3H,2H2,1H3
InChIKeyJIGFRBGEAHZPPG-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Chloro-5-methyl-3,4-dihydropyridine
CID 70335778
3-methyl-N-[(Z)-prop-1-enyl]but-3-enimidoyl chloride
CID 143610021
2-chloro-4-propan-2-yl-3H-pyrrole
CID 159459900
4-Methyl-2,3-dihydropyrrol-2-ide
CID 160291636

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).