2-bromo-6-pyridin-2-ylpyridine

C10H7BrN2 — CID 11791152

IUPAC2-bromo-6-pyridin-2-ylpyridine
SMILESBrc1cccc(-c2ccccn2)n1
InChIInChI=1S/C10H7BrN2/c11-10-6-3-5-9(13-10)8-4-1-2-7-12-8/h1-7H
InChIKeyNCRIDSGPLISUEU-UHFFFAOYSA-N
MW235.08 g/mol
LogP2.91
Rot. Bonds1

About 2-bromo-6-pyridin-2-ylpyridine

2-bromo-6-pyridin-2-ylpyridine (PubChem CID 11791152) has the molecular formula C10H7BrN2 and a molecular weight of 235.08 g/mol. Its IUPAC name is 2-bromo-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-bromo-6-pyridin-2-ylpyridine
PubChem CID11791152
Molecular FormulaC10H7BrN2
Molecular Weight235.08 g/mol
Exact Mass233.98
IUPAC Name2-bromo-6-pyridin-2-ylpyridine
SMILESBrc1cccc(-c2ccccn2)n1
InChIInChI=1S/C10H7BrN2/c11-10-6-3-5-9(13-10)8-4-1-2-7-12-8/h1-7H
InChIKeyNCRIDSGPLISUEU-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 52.91
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-pyridin-2-ylpyridine?
The IUPAC name of 2-bromo-6-pyridin-2-ylpyridine (CID 11791152) is 2-bromo-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-bromo-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-bromo-6-pyridin-2-ylpyridine is Brc1cccc(-c2ccccn2)n1.
What is the InChIKey of 2-bromo-6-pyridin-2-ylpyridine?
The InChIKey is NCRIDSGPLISUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2/c11-10-6-3-5-9(13-10)8-4-1-2-7-12-8/h1-7H.
What are the key properties of 2-bromo-6-pyridin-2-ylpyridine?
2-bromo-6-pyridin-2-ylpyridine has a molecular weight of 235.08 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-pyridin-2-ylpyridine is sourced from PubChem (CID 11791152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).