2-(bromomethyl)-4-fluoro-6-iodopyridine

C6H4BrFIN — CID 130894820

IUPAC2-(bromomethyl)-4-fluoro-6-iodopyridine
SMILESFc1cc(I)nc(CBr)c1
InChIInChI=1S/C6H4BrFIN/c7-3-5-1-4(8)2-6(9)10-5/h1-2H,3H2
InChIKeyFESLOYVMMDIQPO-UHFFFAOYSA-N
MW315.91 g/mol
LogP2.72
Rot. Bonds1

About 2-(bromomethyl)-4-fluoro-6-iodopyridine

2-(bromomethyl)-4-fluoro-6-iodopyridine (PubChem CID 130894820) has the molecular formula C6H4BrFIN and a molecular weight of 315.91 g/mol. Its IUPAC name is 2-(bromomethyl)-4-fluoro-6-iodopyridine.

Molecular Properties

Compound Name2-(bromomethyl)-4-fluoro-6-iodopyridine
PubChem CID130894820
Molecular FormulaC6H4BrFIN
Molecular Weight315.91 g/mol
Exact Mass314.86
IUPAC Name2-(bromomethyl)-4-fluoro-6-iodopyridine
SMILESFc1cc(I)nc(CBr)c1
InChIInChI=1S/C6H4BrFIN/c7-3-5-1-4(8)2-6(9)10-5/h1-2H,3H2
InChIKeyFESLOYVMMDIQPO-UHFFFAOYSA-N
XLogP2.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.91
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-6-(difluoromethyl)-4-fluoropyridine
CID 130096314
2-(bromomethyl)-6-iodopyridine
CID 119084296
6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080004
3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine
CID 130080016
2,6-bis(bromomethyl)-4-methylpyridine
CID 119092321
2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene
CID 131332707
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine
CID 130080031
6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
CID 130086999
4-(bromomethyl)-1-(3,5-difluorophenyl)triazole
CID 62402108
4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine
CID 130086025
4-(bromomethyl)-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 118995900
4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine
CID 130068259

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-fluoro-6-iodopyridine?
The IUPAC name of 2-(bromomethyl)-4-fluoro-6-iodopyridine (CID 130894820) is 2-(bromomethyl)-4-fluoro-6-iodopyridine.
What is the SMILES notation for 2-(bromomethyl)-4-fluoro-6-iodopyridine?
The canonical SMILES for 2-(bromomethyl)-4-fluoro-6-iodopyridine is Fc1cc(I)nc(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-4-fluoro-6-iodopyridine?
The InChIKey is FESLOYVMMDIQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFIN/c7-3-5-1-4(8)2-6(9)10-5/h1-2H,3H2.
What are the key properties of 2-(bromomethyl)-4-fluoro-6-iodopyridine?
2-(bromomethyl)-4-fluoro-6-iodopyridine has a molecular weight of 315.91 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-fluoro-6-iodopyridine is sourced from PubChem (CID 130894820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).