2,4-dibromo-6-phenylpyridine

C11H7Br2N — CID 142728327

IUPAC2,4-dibromo-6-phenylpyridine
SMILESBrc1cc(Br)nc(-c2ccccc2)c1
InChIInChI=1S/C11H7Br2N/c12-9-6-10(14-11(13)7-9)8-4-2-1-3-5-8/h1-7H
InChIKeyGRXPZKVOSJTHBD-UHFFFAOYSA-N
MW312.99 g/mol
LogP4.27
Rot. Bonds1

About 2,4-dibromo-6-phenylpyridine

2,4-dibromo-6-phenylpyridine (PubChem CID 142728327) has the molecular formula C11H7Br2N and a molecular weight of 312.99 g/mol. Its IUPAC name is 2,4-dibromo-6-phenylpyridine.

Molecular Properties

Compound Name2,4-dibromo-6-phenylpyridine
PubChem CID142728327
Molecular FormulaC11H7Br2N
Molecular Weight312.99 g/mol
Exact Mass310.89
IUPAC Name2,4-dibromo-6-phenylpyridine
SMILESBrc1cc(Br)nc(-c2ccccc2)c1
InChIInChI=1S/C11H7Br2N/c12-9-6-10(14-11(13)7-9)8-4-2-1-3-5-8/h1-7H
InChIKeyGRXPZKVOSJTHBD-UHFFFAOYSA-N
XLogP4.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.99
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,4-dibromo-6-phenylpyridine?
The IUPAC name of 2,4-dibromo-6-phenylpyridine (CID 142728327) is 2,4-dibromo-6-phenylpyridine.
What is the SMILES notation for 2,4-dibromo-6-phenylpyridine?
The canonical SMILES for 2,4-dibromo-6-phenylpyridine is Brc1cc(Br)nc(-c2ccccc2)c1.
What is the InChIKey of 2,4-dibromo-6-phenylpyridine?
The InChIKey is GRXPZKVOSJTHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2N/c12-9-6-10(14-11(13)7-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2,4-dibromo-6-phenylpyridine?
2,4-dibromo-6-phenylpyridine has a molecular weight of 312.99 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-phenylpyridine is sourced from PubChem (CID 142728327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).