2-chloro-4-pyrrol-1-ylpyridine

C9H7ClN2 — CID 11321293

IUPAC2-chloro-4-pyrrol-1-ylpyridine
SMILESClc1cc(-n2cccc2)ccn1
InChIInChI=1S/C9H7ClN2/c10-9-7-8(3-4-11-9)12-5-1-2-6-12/h1-7H
InChIKeyIUTWVAFLRFUPMZ-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.53
Rot. Bonds1

About 2-chloro-4-pyrrol-1-ylpyridine

2-chloro-4-pyrrol-1-ylpyridine (PubChem CID 11321293) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-chloro-4-pyrrol-1-ylpyridine.

Molecular Properties

Compound Name2-chloro-4-pyrrol-1-ylpyridine
PubChem CID11321293
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name2-chloro-4-pyrrol-1-ylpyridine
SMILESClc1cc(-n2cccc2)ccn1
InChIInChI=1S/C9H7ClN2/c10-9-7-8(3-4-11-9)12-5-1-2-6-12/h1-7H
InChIKeyIUTWVAFLRFUPMZ-UHFFFAOYSA-N
XLogP2.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-4-pyrrol-1-ylpyridine 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 2-chloro-4-pyrrol-1-ylpyridine?
The IUPAC name of 2-chloro-4-pyrrol-1-ylpyridine (CID 11321293) is 2-chloro-4-pyrrol-1-ylpyridine.
What is the SMILES notation for 2-chloro-4-pyrrol-1-ylpyridine?
The canonical SMILES for 2-chloro-4-pyrrol-1-ylpyridine is Clc1cc(-n2cccc2)ccn1.
What is the InChIKey of 2-chloro-4-pyrrol-1-ylpyridine?
The InChIKey is IUTWVAFLRFUPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c10-9-7-8(3-4-11-9)12-5-1-2-6-12/h1-7H.
What are the key properties of 2-chloro-4-pyrrol-1-ylpyridine?
2-chloro-4-pyrrol-1-ylpyridine has a molecular weight of 178.62 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pyrrol-1-ylpyridine is sourced from PubChem (CID 11321293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).