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

C6H2BrF2I2N — CID 130100418

IUPAC2-bromo-3-(difluoromethyl)-4,6-diiodopyridine
SMILESFC(F)c1c(I)cc(I)nc1Br
InChIInChI=1S/C6H2BrF2I2N/c7-5-4(6(8)9)2(10)1-3(11)12-5/h1,6H
InChIKeyBMZWZTHQNJCTLB-UHFFFAOYSA-N
MW459.80 g/mol
LogP3.99
Rot. Bonds1

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

2-bromo-3-(difluoromethyl)-4,6-diiodopyridine (PubChem CID 130100418) has the molecular formula C6H2BrF2I2N and a molecular weight of 459.80 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethyl)-4,6-diiodopyridine.

Molecular Properties

Compound Name2-bromo-3-(difluoromethyl)-4,6-diiodopyridine
PubChem CID130100418
Molecular FormulaC6H2BrF2I2N
Molecular Weight459.80 g/mol
Exact Mass458.74
IUPAC Name2-bromo-3-(difluoromethyl)-4,6-diiodopyridine
SMILESFC(F)c1c(I)cc(I)nc1Br
InChIInChI=1S/C6H2BrF2I2N/c7-5-4(6(8)9)2(10)1-3(11)12-5/h1,6H
InChIKeyBMZWZTHQNJCTLB-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

2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine
CID 119006944
3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine
CID 130100478
[6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol
CID 119008071
3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide
CID 134677678
3-(difluoromethyl)-4,6-diiodo-2-nitropyridine
CID 130100550
2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile
CID 130100638
6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride
CID 130068552
4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine
CID 130068259
2,4-dibromo-3-(difluoromethyl)-6-fluoropyridine
CID 118998950
2,4-dichloro-3-(difluoromethyl)-6-iodopyridine
CID 118998644
2,6-dibromo-4-chloro-3-(difluoromethyl)pyridine
CID 118834001
4-bromo-3-(difluoromethyl)-6-iodopyridine-2-carboxylic acid
CID 118844256

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethyl)-4,6-diiodopyridine?
The IUPAC name of 2-bromo-3-(difluoromethyl)-4,6-diiodopyridine (CID 130100418) is 2-bromo-3-(difluoromethyl)-4,6-diiodopyridine.
What is the SMILES notation for 2-bromo-3-(difluoromethyl)-4,6-diiodopyridine?
The canonical SMILES for 2-bromo-3-(difluoromethyl)-4,6-diiodopyridine is FC(F)c1c(I)cc(I)nc1Br.
What is the InChIKey of 2-bromo-3-(difluoromethyl)-4,6-diiodopyridine?
The InChIKey is BMZWZTHQNJCTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF2I2N/c7-5-4(6(8)9)2(10)1-3(11)12-5/h1,6H.
What are the key properties of 2-bromo-3-(difluoromethyl)-4,6-diiodopyridine?
2-bromo-3-(difluoromethyl)-4,6-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 2-bromo-3-(difluoromethyl)-4,6-diiodopyridine is sourced from PubChem (CID 130100418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).