5-bromo-2-fluoro-3-methylpyridine

C6H5BrFN — CID 12056902

IUPAC5-bromo-2-fluoro-3-methylpyridine
SMILESCc1cc(Br)cnc1F
InChIInChI=1S/C6H5BrFN/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3
InChIKeyJLCVSFDCHKCISN-UHFFFAOYSA-N
MW190.02 g/mol
LogP2.29
Rot. Bonds

About 5-bromo-2-fluoro-3-methylpyridine

5-bromo-2-fluoro-3-methylpyridine (PubChem CID 12056902) has the molecular formula C6H5BrFN and a molecular weight of 190.02 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-methylpyridine
PubChem CID12056902
Molecular FormulaC6H5BrFN
Molecular Weight190.02 g/mol
Exact Mass188.96
IUPAC Name5-bromo-2-fluoro-3-methylpyridine
SMILESCc1cc(Br)cnc1F
InChIInChI=1S/C6H5BrFN/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3
InChIKeyJLCVSFDCHKCISN-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

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 5-bromo-2-fluoro-3-methylpyridine?
The IUPAC name of 5-bromo-2-fluoro-3-methylpyridine (CID 12056902) is 5-bromo-2-fluoro-3-methylpyridine.
What is the SMILES notation for 5-bromo-2-fluoro-3-methylpyridine?
The canonical SMILES for 5-bromo-2-fluoro-3-methylpyridine is Cc1cc(Br)cnc1F.
What is the InChIKey of 5-bromo-2-fluoro-3-methylpyridine?
The InChIKey is JLCVSFDCHKCISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFN/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3.
What are the key properties of 5-bromo-2-fluoro-3-methylpyridine?
5-bromo-2-fluoro-3-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 5-bromo-2-fluoro-3-methylpyridine is sourced from PubChem (CID 12056902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).