3-bromo-5-fluoro-4-methylpyridine

C6H5BrFN — CID 66685263

IUPAC3-bromo-5-fluoro-4-methylpyridine
SMILESCc1c(F)cncc1Br
InChIInChI=1S/C6H5BrFN/c1-4-5(7)2-9-3-6(4)8/h2-3H,1H3
InChIKeyXLELTAPOTWVYLE-UHFFFAOYSA-N
MW190.02 g/mol
LogP2.29
Rot. Bonds

About 3-bromo-5-fluoro-4-methylpyridine

3-bromo-5-fluoro-4-methylpyridine (PubChem CID 66685263) has the molecular formula C6H5BrFN and a molecular weight of 190.02 g/mol. Its IUPAC name is 3-bromo-5-fluoro-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-5-fluoro-4-methylpyridine
PubChem CID66685263
Molecular FormulaC6H5BrFN
Molecular Weight190.02 g/mol
Exact Mass188.96
IUPAC Name3-bromo-5-fluoro-4-methylpyridine
SMILESCc1c(F)cncc1Br
InChIInChI=1S/C6H5BrFN/c1-4-5(7)2-9-3-6(4)8/h2-3H,1H3
InChIKeyXLELTAPOTWVYLE-UHFFFAOYSA-N
XLogP2.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.02
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-4-methylpyridine?
The IUPAC name of 3-bromo-5-fluoro-4-methylpyridine (CID 66685263) is 3-bromo-5-fluoro-4-methylpyridine.
What is the SMILES notation for 3-bromo-5-fluoro-4-methylpyridine?
The canonical SMILES for 3-bromo-5-fluoro-4-methylpyridine is Cc1c(F)cncc1Br.
What is the InChIKey of 3-bromo-5-fluoro-4-methylpyridine?
The InChIKey is XLELTAPOTWVYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFN/c1-4-5(7)2-9-3-6(4)8/h2-3H,1H3.
What are the key properties of 3-bromo-5-fluoro-4-methylpyridine?
3-bromo-5-fluoro-4-methylpyridine has a molecular weight of 190.02 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-4-methylpyridine is sourced from PubChem (CID 66685263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).