2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine

C9H9BrN2 — CID 118664228

IUPAC2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
SMILESBrc1cccc(C2=NCCC2)n1
InChIInChI=1S/C9H9BrN2/c10-9-5-1-3-8(12-9)7-4-2-6-11-7/h1,3,5H,2,4,6H2
InChIKeyKVDWKIBKIMGPTM-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.43
Rot. Bonds1

About 2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine

2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine (PubChem CID 118664228) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
PubChem CID118664228
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
SMILESBrc1cccc(C2=NCCC2)n1
InChIInChI=1S/C9H9BrN2/c10-9-5-1-3-8(12-9)7-4-2-6-11-7/h1,3,5H,2,4,6H2
InChIKeyKVDWKIBKIMGPTM-UHFFFAOYSA-N
XLogP2.43
TPSA25.25 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 ≤ 52.43
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 2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine?
The IUPAC name of 2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine (CID 118664228) is 2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine.
What is the SMILES notation for 2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine?
The canonical SMILES for 2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine is Brc1cccc(C2=NCCC2)n1.
What is the InChIKey of 2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine?
The InChIKey is KVDWKIBKIMGPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c10-9-5-1-3-8(12-9)7-4-2-6-11-7/h1,3,5H,2,4,6H2.
What are the key properties of 2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine?
2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine has a molecular weight of 225.09 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine is sourced from PubChem (CID 118664228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).