2,3,4-tribromo-6-methylpyridine

C6H4Br3N — CID 127258966

IUPAC2,3,4-tribromo-6-methylpyridine
SMILESCc1cc(Br)c(Br)c(Br)n1
InChIInChI=1S/C6H4Br3N/c1-3-2-4(7)5(8)6(9)10-3/h2H,1H3
InChIKeyLFTYXASNURBGLR-UHFFFAOYSA-N
MW329.82 g/mol
LogP3.68
Rot. Bonds

About 2,3,4-tribromo-6-methylpyridine

2,3,4-tribromo-6-methylpyridine (PubChem CID 127258966) has the molecular formula C6H4Br3N and a molecular weight of 329.82 g/mol. Its IUPAC name is 2,3,4-tribromo-6-methylpyridine.

Molecular Properties

Compound Name2,3,4-tribromo-6-methylpyridine
PubChem CID127258966
Molecular FormulaC6H4Br3N
Molecular Weight329.82 g/mol
Exact Mass326.79
IUPAC Name2,3,4-tribromo-6-methylpyridine
SMILESCc1cc(Br)c(Br)c(Br)n1
InChIInChI=1S/C6H4Br3N/c1-3-2-4(7)5(8)6(9)10-3/h2H,1H3
InChIKeyLFTYXASNURBGLR-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 53.68
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 2,3,4-tribromo-6-methylpyridine?
The IUPAC name of 2,3,4-tribromo-6-methylpyridine (CID 127258966) is 2,3,4-tribromo-6-methylpyridine.
What is the SMILES notation for 2,3,4-tribromo-6-methylpyridine?
The canonical SMILES for 2,3,4-tribromo-6-methylpyridine is Cc1cc(Br)c(Br)c(Br)n1.
What is the InChIKey of 2,3,4-tribromo-6-methylpyridine?
The InChIKey is LFTYXASNURBGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br3N/c1-3-2-4(7)5(8)6(9)10-3/h2H,1H3.
What are the key properties of 2,3,4-tribromo-6-methylpyridine?
2,3,4-tribromo-6-methylpyridine has a molecular weight of 329.82 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tribromo-6-methylpyridine is sourced from PubChem (CID 127258966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).