5-bromo-3-fluoro-2-methoxypyridine

C6H5BrFNO — CID 14837011

IUPAC5-bromo-3-fluoro-2-methoxypyridine
SMILESCOc1ncc(Br)cc1F
InChIInChI=1S/C6H5BrFNO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
InChIKeyDEBFRAAJISQBIE-UHFFFAOYSA-N
MW206.01 g/mol
LogP1.99
Rot. Bonds1

About 5-bromo-3-fluoro-2-methoxypyridine

5-bromo-3-fluoro-2-methoxypyridine (PubChem CID 14837011) has the molecular formula C6H5BrFNO and a molecular weight of 206.01 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-methoxypyridine.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-methoxypyridine
PubChem CID14837011
Molecular FormulaC6H5BrFNO
Molecular Weight206.01 g/mol
Exact Mass204.95
IUPAC Name5-bromo-3-fluoro-2-methoxypyridine
SMILESCOc1ncc(Br)cc1F
InChIInChI=1S/C6H5BrFNO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
InChIKeyDEBFRAAJISQBIE-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2-methoxypyridine?
The IUPAC name of 5-bromo-3-fluoro-2-methoxypyridine (CID 14837011) is 5-bromo-3-fluoro-2-methoxypyridine.
What is the SMILES notation for 5-bromo-3-fluoro-2-methoxypyridine?
The canonical SMILES for 5-bromo-3-fluoro-2-methoxypyridine is COc1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-2-methoxypyridine?
The InChIKey is DEBFRAAJISQBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3.
What are the key properties of 5-bromo-3-fluoro-2-methoxypyridine?
5-bromo-3-fluoro-2-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 5-bromo-3-fluoro-2-methoxypyridine is sourced from PubChem (CID 14837011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).