3-(3-bromopyrrol-1-yl)-2-chloropyridine

C9H6BrClN2 — CID 141169259

IUPAC3-(3-bromopyrrol-1-yl)-2-chloropyridine
SMILESClc1ncccc1-n1ccc(Br)c1
InChIInChI=1S/C9H6BrClN2/c10-7-3-5-13(6-7)8-2-1-4-12-9(8)11/h1-6H
InChIKeyJAIXOQANHASIDC-UHFFFAOYSA-N
MW257.52 g/mol
LogP3.29
Rot. Bonds1

About 3-(3-bromopyrrol-1-yl)-2-chloropyridine

3-(3-bromopyrrol-1-yl)-2-chloropyridine (PubChem CID 141169259) has the molecular formula C9H6BrClN2 and a molecular weight of 257.52 g/mol. Its IUPAC name is 3-(3-bromopyrrol-1-yl)-2-chloropyridine.

Molecular Properties

Compound Name3-(3-bromopyrrol-1-yl)-2-chloropyridine
PubChem CID141169259
Molecular FormulaC9H6BrClN2
Molecular Weight257.52 g/mol
Exact Mass255.94
IUPAC Name3-(3-bromopyrrol-1-yl)-2-chloropyridine
SMILESClc1ncccc1-n1ccc(Br)c1
InChIInChI=1S/C9H6BrClN2/c10-7-3-5-13(6-7)8-2-1-4-12-9(8)11/h1-6H
InChIKeyJAIXOQANHASIDC-UHFFFAOYSA-N
XLogP3.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.52
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopyrrol-1-yl)-2-chloropyridine?
The IUPAC name of 3-(3-bromopyrrol-1-yl)-2-chloropyridine (CID 141169259) is 3-(3-bromopyrrol-1-yl)-2-chloropyridine.
What is the SMILES notation for 3-(3-bromopyrrol-1-yl)-2-chloropyridine?
The canonical SMILES for 3-(3-bromopyrrol-1-yl)-2-chloropyridine is Clc1ncccc1-n1ccc(Br)c1.
What is the InChIKey of 3-(3-bromopyrrol-1-yl)-2-chloropyridine?
The InChIKey is JAIXOQANHASIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2/c10-7-3-5-13(6-7)8-2-1-4-12-9(8)11/h1-6H.
What are the key properties of 3-(3-bromopyrrol-1-yl)-2-chloropyridine?
3-(3-bromopyrrol-1-yl)-2-chloropyridine has a molecular weight of 257.52 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopyrrol-1-yl)-2-chloropyridine is sourced from PubChem (CID 141169259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).