2-bromo-3-fluoro-6-methoxypyridine

C6H5BrFNO — CID 84673789

IUPAC2-bromo-3-fluoro-6-methoxypyridine
SMILESCOc1ccc(F)c(Br)n1
InChIInChI=1S/C6H5BrFNO/c1-10-5-3-2-4(8)6(7)9-5/h2-3H,1H3
InChIKeyRSIDBBAZCOTLAM-UHFFFAOYSA-N
MW206.01 g/mol
LogP1.99
Rot. Bonds1

About 2-bromo-3-fluoro-6-methoxypyridine

2-bromo-3-fluoro-6-methoxypyridine (PubChem CID 84673789) has the molecular formula C6H5BrFNO and a molecular weight of 206.01 g/mol. Its IUPAC name is 2-bromo-3-fluoro-6-methoxypyridine.

Molecular Properties

Compound Name2-bromo-3-fluoro-6-methoxypyridine
PubChem CID84673789
Molecular FormulaC6H5BrFNO
Molecular Weight206.01 g/mol
Exact Mass204.95
IUPAC Name2-bromo-3-fluoro-6-methoxypyridine
SMILESCOc1ccc(F)c(Br)n1
InChIInChI=1S/C6H5BrFNO/c1-10-5-3-2-4(8)6(7)9-5/h2-3H,1H3
InChIKeyRSIDBBAZCOTLAM-UHFFFAOYSA-N
XLogP1.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.01
LogP ≤ 51.99
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-3-fluoro-6-methoxypyridine?
The IUPAC name of 2-bromo-3-fluoro-6-methoxypyridine (CID 84673789) is 2-bromo-3-fluoro-6-methoxypyridine.
What is the SMILES notation for 2-bromo-3-fluoro-6-methoxypyridine?
The canonical SMILES for 2-bromo-3-fluoro-6-methoxypyridine is COc1ccc(F)c(Br)n1.
What is the InChIKey of 2-bromo-3-fluoro-6-methoxypyridine?
The InChIKey is RSIDBBAZCOTLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO/c1-10-5-3-2-4(8)6(7)9-5/h2-3H,1H3.
What are the key properties of 2-bromo-3-fluoro-6-methoxypyridine?
2-bromo-3-fluoro-6-methoxypyridine has a molecular weight of 206.01 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-6-methoxypyridine is sourced from PubChem (CID 84673789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).