3-bromo-6-(difluoromethyl)-2,4-diiodopyridine

C6H2BrF2I2N — CID 130100414

IUPAC3-bromo-6-(difluoromethyl)-2,4-diiodopyridine
SMILESFC(F)c1cc(I)c(Br)c(I)n1
InChIInChI=1S/C6H2BrF2I2N/c7-4-2(10)1-3(5(8)9)12-6(4)11/h1,5H
InChIKeyOZIFXOSIKFCEIA-UHFFFAOYSA-N
MW459.80 g/mol
LogP3.99
Rot. Bonds1

About 3-bromo-6-(difluoromethyl)-2,4-diiodopyridine

3-bromo-6-(difluoromethyl)-2,4-diiodopyridine (PubChem CID 130100414) has the molecular formula C6H2BrF2I2N and a molecular weight of 459.80 g/mol. Its IUPAC name is 3-bromo-6-(difluoromethyl)-2,4-diiodopyridine.

Molecular Properties

Compound Name3-bromo-6-(difluoromethyl)-2,4-diiodopyridine
PubChem CID130100414
Molecular FormulaC6H2BrF2I2N
Molecular Weight459.80 g/mol
Exact Mass458.74
IUPAC Name3-bromo-6-(difluoromethyl)-2,4-diiodopyridine
SMILESFC(F)c1cc(I)c(Br)c(I)n1
InChIInChI=1S/C6H2BrF2I2N/c7-4-2(10)1-3(5(8)9)12-6(4)11/h1,5H
InChIKeyOZIFXOSIKFCEIA-UHFFFAOYSA-N
XLogP3.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.80
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100479
3-bromo-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068192
2-bromo-6-(difluoromethyl)-4-iodopyridin-3-ol
CID 119000379
2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
CID 119020836
methyl 2-[3-bromo-6-(difluoromethyl)-2-iodo-4-pyridinyl]acetate
CID 134684471
5-bromo-2-(difluoromethyl)-4-iodopyridine
CID 130095026
6-(difluoromethyl)-3-fluoro-2-iodopyridin-4-amine
CID 118800941
2-chloro-6-(difluoromethyl)-4-iodopyridin-3-amine
CID 130102506
3-chloro-6-(difluoromethyl)-2-iodopyridin-4-amine
CID 130102520
3-chloro-6-(difluoromethyl)-4-iodopyridin-2-amine
CID 118996077
6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine
CID 130100522
[3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol
CID 130087148

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(difluoromethyl)-2,4-diiodopyridine?
The IUPAC name of 3-bromo-6-(difluoromethyl)-2,4-diiodopyridine (CID 130100414) is 3-bromo-6-(difluoromethyl)-2,4-diiodopyridine.
What is the SMILES notation for 3-bromo-6-(difluoromethyl)-2,4-diiodopyridine?
The canonical SMILES for 3-bromo-6-(difluoromethyl)-2,4-diiodopyridine is FC(F)c1cc(I)c(Br)c(I)n1.
What is the InChIKey of 3-bromo-6-(difluoromethyl)-2,4-diiodopyridine?
The InChIKey is OZIFXOSIKFCEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF2I2N/c7-4-2(10)1-3(5(8)9)12-6(4)11/h1,5H.
What are the key properties of 3-bromo-6-(difluoromethyl)-2,4-diiodopyridine?
3-bromo-6-(difluoromethyl)-2,4-diiodopyridine has a molecular weight of 459.80 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(difluoromethyl)-2,4-diiodopyridine is sourced from PubChem (CID 130100414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).