5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine

C9H9BrN2 — CID 23438624

IUPAC5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine
SMILESBrc1ccc(N2CC=CC2)nc1
InChIInChI=1S/C9H9BrN2/c10-8-3-4-9(11-7-8)12-5-1-2-6-12/h1-4,7H,5-6H2
InChIKeyVXJRNDQLKAACRY-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.22
Rot. Bonds1

About 5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine

5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine (PubChem CID 23438624) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine
PubChem CID23438624
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine
SMILESBrc1ccc(N2CC=CC2)nc1
InChIInChI=1S/C9H9BrN2/c10-8-3-4-9(11-7-8)12-5-1-2-6-12/h1-4,7H,5-6H2
InChIKeyVXJRNDQLKAACRY-UHFFFAOYSA-N
XLogP2.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine?
The IUPAC name of 5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine (CID 23438624) is 5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine?
The canonical SMILES for 5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine is Brc1ccc(N2CC=CC2)nc1.
What is the InChIKey of 5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine?
The InChIKey is VXJRNDQLKAACRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c10-8-3-4-9(11-7-8)12-5-1-2-6-12/h1-4,7H,5-6H2.
What are the key properties of 5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine?
5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine has a molecular weight of 225.09 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine is sourced from PubChem (CID 23438624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).