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

C6H2F3I2N — CID 130100478

IUPAC3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine
SMILESFc1nc(I)cc(I)c1C(F)F
InChIInChI=1S/C6H2F3I2N/c7-5(8)4-2(10)1-3(11)12-6(4)9/h1,5H
InChIKeyZSKVMQBMSISLGK-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.37
Rot. Bonds1

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

3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine (PubChem CID 130100478) has the molecular formula C6H2F3I2N and a molecular weight of 398.89 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine
PubChem CID130100478
Molecular FormulaC6H2F3I2N
Molecular Weight398.89 g/mol
Exact Mass398.82
IUPAC Name3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine
SMILESFc1nc(I)cc(I)c1C(F)F
InChIInChI=1S/C6H2F3I2N/c7-5(8)4-2(10)1-3(11)12-6(4)9/h1,5H
InChIKeyZSKVMQBMSISLGK-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.37
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

3-(difluoromethyl)-2-fluoro-4-iodo-6-methylpyridine
CID 130079897
2-bromo-3-(difluoromethyl)-4,6-diiodopyridine
CID 130100418
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
4-(difluoromethyl)-2-fluoro-6-iodopyridin-3-amine
CID 130103860
2,4-dichloro-3-(difluoromethyl)-6-iodopyridine
CID 118998644
3-(difluoromethyl)-2,4,6-trifluoropyridine
CID 130088806
2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine
CID 118855086
3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine
CID 130080016
2-(difluoromethyl)-3,5-diiodophenol
CID 118998281
2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine
CID 119006944

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine?
The IUPAC name of 3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine (CID 130100478) is 3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine.
What is the SMILES notation for 3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine?
The canonical SMILES for 3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine is Fc1nc(I)cc(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine?
The InChIKey is ZSKVMQBMSISLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3I2N/c7-5(8)4-2(10)1-3(11)12-6(4)9/h1,5H.
What are the key properties of 3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine?
3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine has a molecular weight of 398.89 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine is sourced from PubChem (CID 130100478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).