5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine

C7H4Br2F2IN — CID 130068256

IUPAC5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine
SMILESFC(F)c1nc(I)c(Br)cc1CBr
InChIInChI=1S/C7H4Br2F2IN/c8-2-3-1-4(9)7(12)13-5(3)6(10)11/h1,6H,2H2
InChIKeyJOYQXZAFKKCZIY-UHFFFAOYSA-N
MW426.82 g/mol
LogP4.28
Rot. Bonds2

About 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine

5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine (PubChem CID 130068256) has the molecular formula C7H4Br2F2IN and a molecular weight of 426.82 g/mol. Its IUPAC name is 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine.

Molecular Properties

Compound Name5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine
PubChem CID130068256
Molecular FormulaC7H4Br2F2IN
Molecular Weight426.82 g/mol
Exact Mass424.77
IUPAC Name5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine
SMILESFC(F)c1nc(I)c(Br)cc1CBr
InChIInChI=1S/C7H4Br2F2IN/c8-2-3-1-4(9)7(12)13-5(3)6(10)11/h1,6H,2H2
InChIKeyJOYQXZAFKKCZIY-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.82
LogP ≤ 54.28
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

5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 130077346
5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine
CID 130068755
5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine
CID 130087042
2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070239
2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine
CID 118995667
3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 130075114
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine
CID 130080031
5-(bromomethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079432
methyl 5-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 134675061
3-(bromomethyl)-2-chloro-6-(difluoromethyl)-5-iodopyridine
CID 130073132
4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine
CID 130086025
4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine
CID 130073150

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine?
The IUPAC name of 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine (CID 130068256) is 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine.
What is the SMILES notation for 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine?
The canonical SMILES for 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine is FC(F)c1nc(I)c(Br)cc1CBr.
What is the InChIKey of 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine?
The InChIKey is JOYQXZAFKKCZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F2IN/c8-2-3-1-4(9)7(12)13-5(3)6(10)11/h1,6H,2H2.
What are the key properties of 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine?
5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine has a molecular weight of 426.82 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine is sourced from PubChem (CID 130068256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).