6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine

C6H2BrF3IN — CID 130109306

IUPAC6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine
SMILESFc1cc(Br)nc(I)c1C(F)F
InChIInChI=1S/C6H2BrF3IN/c7-3-1-2(8)4(5(9)10)6(11)12-3/h1,5H
InChIKeyLCHRIROHENHNFR-UHFFFAOYSA-N
MW351.89 g/mol
LogP3.53
Rot. Bonds1

About 6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine

6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine (PubChem CID 130109306) has the molecular formula C6H2BrF3IN and a molecular weight of 351.89 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine
PubChem CID130109306
Molecular FormulaC6H2BrF3IN
Molecular Weight351.89 g/mol
Exact Mass350.84
IUPAC Name6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine
SMILESFc1cc(Br)nc(I)c1C(F)F
InChIInChI=1S/C6H2BrF3IN/c7-3-1-2(8)4(5(9)10)6(11)12-3/h1,5H
InChIKeyLCHRIROHENHNFR-UHFFFAOYSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.89
LogP ≤ 53.53
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-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109381
6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080004
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
6-bromo-2-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130109276
2,6-dibromo-4-chloro-3-(difluoromethyl)pyridine
CID 118834001
2,4-dibromo-3-(difluoromethyl)-1,5-difluorobenzene
CID 119021867
2-bromo-3-(difluoromethyl)-4,6-diiodopyridine
CID 130100418
3-(difluoromethyl)-2,4,6-trifluoropyridine
CID 130088806
6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine
CID 130110786
6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride
CID 130068552
[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 119022962
2-[4-bromo-5-(difluoromethyl)-6-iodo-2-pyridinyl]acetonitrile
CID 118833024

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine?
The IUPAC name of 6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine (CID 130109306) is 6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine is Fc1cc(Br)nc(I)c1C(F)F.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine?
The InChIKey is LCHRIROHENHNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3IN/c7-3-1-2(8)4(5(9)10)6(11)12-3/h1,5H.
What are the key properties of 6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine?
6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine has a molecular weight of 351.89 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine is sourced from PubChem (CID 130109306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).