2,5-dibromo-3-methylpyridine

C6H5Br2N — CID 817680

IUPAC2,5-dibromo-3-methylpyridine
SMILESCc1cc(Br)cnc1Br
InChIInChI=1S/C6H5Br2N/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3
InChIKeyLIMXEVCFAUTBCK-UHFFFAOYSA-N
MW250.92 g/mol
LogP2.92
Rot. Bonds

About 2,5-dibromo-3-methylpyridine

2,5-dibromo-3-methylpyridine (PubChem CID 817680) has the molecular formula C6H5Br2N and a molecular weight of 250.92 g/mol. Its IUPAC name is 2,5-dibromo-3-methylpyridine.

Molecular Properties

Compound Name2,5-dibromo-3-methylpyridine
PubChem CID817680
Molecular FormulaC6H5Br2N
Molecular Weight250.92 g/mol
Exact Mass248.88
IUPAC Name2,5-dibromo-3-methylpyridine
SMILESCc1cc(Br)cnc1Br
InChIInChI=1S/C6H5Br2N/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3
InChIKeyLIMXEVCFAUTBCK-UHFFFAOYSA-N
XLogP2.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.92
LogP ≤ 52.92
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 2,5-dibromo-3-methylpyridine?
The IUPAC name of 2,5-dibromo-3-methylpyridine (CID 817680) is 2,5-dibromo-3-methylpyridine.
What is the SMILES notation for 2,5-dibromo-3-methylpyridine?
The canonical SMILES for 2,5-dibromo-3-methylpyridine is Cc1cc(Br)cnc1Br.
What is the InChIKey of 2,5-dibromo-3-methylpyridine?
The InChIKey is LIMXEVCFAUTBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2N/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3.
What are the key properties of 2,5-dibromo-3-methylpyridine?
2,5-dibromo-3-methylpyridine has a molecular weight of 250.92 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-methylpyridine is sourced from PubChem (CID 817680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).