5-chloro-3-methoxy-2H-pyrrole

C5H6ClNO — CID 172826526

IUPAC5-chloro-3-methoxy-2H-pyrrole
SMILESCOC1=CC(Cl)=NC1
InChIInChI=1S/C5H6ClNO/c1-8-4-2-5(6)7-3-4/h2H,3H2,1H3
InChIKeyUYAFPKKHFWRROZ-UHFFFAOYSA-N
MW131.56 g/mol
LogP1.17
Rot. Bonds1

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

5-chloro-3-methoxy-2H-pyrrole (PubChem CID 172826526) has the molecular formula C5H6ClNO and a molecular weight of 131.56 g/mol. Its IUPAC name is 5-chloro-3-methoxy-2H-pyrrole.

Molecular Properties

Compound Name5-chloro-3-methoxy-2H-pyrrole
PubChem CID172826526
Molecular FormulaC5H6ClNO
Molecular Weight131.56 g/mol
Exact Mass131.01
IUPAC Name5-chloro-3-methoxy-2H-pyrrole
SMILESCOC1=CC(Cl)=NC1
InChIInChI=1S/C5H6ClNO/c1-8-4-2-5(6)7-3-4/h2H,3H2,1H3
InChIKeyUYAFPKKHFWRROZ-UHFFFAOYSA-N
XLogP1.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.56
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3-methoxy-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 5-chloro-3-methoxy-2H-pyrrole?
The IUPAC name of 5-chloro-3-methoxy-2H-pyrrole (CID 172826526) is 5-chloro-3-methoxy-2H-pyrrole.
What is the SMILES notation for 5-chloro-3-methoxy-2H-pyrrole?
The canonical SMILES for 5-chloro-3-methoxy-2H-pyrrole is COC1=CC(Cl)=NC1.
What is the InChIKey of 5-chloro-3-methoxy-2H-pyrrole?
The InChIKey is UYAFPKKHFWRROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO/c1-8-4-2-5(6)7-3-4/h2H,3H2,1H3.
What are the key properties of 5-chloro-3-methoxy-2H-pyrrole?
5-chloro-3-methoxy-2H-pyrrole has a molecular weight of 131.56 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-2H-pyrrole is sourced from PubChem (CID 172826526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).