2,4,6-tribromo-3-fluoro-5-methoxypyridine

C6H3Br3FNO — CID 10666436

IUPAC2,4,6-tribromo-3-fluoro-5-methoxypyridine
SMILESCOc1c(Br)nc(Br)c(F)c1Br
InChIInChI=1S/C6H3Br3FNO/c1-12-4-2(7)3(10)5(8)11-6(4)9/h1H3
InChIKeyXXAPGTYXMXWDGI-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.52
Rot. Bonds1

About 2,4,6-tribromo-3-fluoro-5-methoxypyridine

2,4,6-tribromo-3-fluoro-5-methoxypyridine (PubChem CID 10666436) has the molecular formula C6H3Br3FNO and a molecular weight of 363.81 g/mol. Its IUPAC name is 2,4,6-tribromo-3-fluoro-5-methoxypyridine.

Molecular Properties

Compound Name2,4,6-tribromo-3-fluoro-5-methoxypyridine
PubChem CID10666436
Molecular FormulaC6H3Br3FNO
Molecular Weight363.81 g/mol
Exact Mass360.77
IUPAC Name2,4,6-tribromo-3-fluoro-5-methoxypyridine
SMILESCOc1c(Br)nc(Br)c(F)c1Br
InChIInChI=1S/C6H3Br3FNO/c1-12-4-2(7)3(10)5(8)11-6(4)9/h1H3
InChIKeyXXAPGTYXMXWDGI-UHFFFAOYSA-N
XLogP3.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.52
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 2,4,6-tribromo-3-fluoro-5-methoxypyridine?
The IUPAC name of 2,4,6-tribromo-3-fluoro-5-methoxypyridine (CID 10666436) is 2,4,6-tribromo-3-fluoro-5-methoxypyridine.
What is the SMILES notation for 2,4,6-tribromo-3-fluoro-5-methoxypyridine?
The canonical SMILES for 2,4,6-tribromo-3-fluoro-5-methoxypyridine is COc1c(Br)nc(Br)c(F)c1Br.
What is the InChIKey of 2,4,6-tribromo-3-fluoro-5-methoxypyridine?
The InChIKey is XXAPGTYXMXWDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br3FNO/c1-12-4-2(7)3(10)5(8)11-6(4)9/h1H3.
What are the key properties of 2,4,6-tribromo-3-fluoro-5-methoxypyridine?
2,4,6-tribromo-3-fluoro-5-methoxypyridine has a molecular weight of 363.81 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-3-fluoro-5-methoxypyridine is sourced from PubChem (CID 10666436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).