6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine

C7H5F3INO — CID 130079854

IUPAC6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine
SMILESCOc1cc(C(F)F)nc(F)c1I
InChIInChI=1S/C7H5F3INO/c1-13-4-2-3(6(8)9)12-7(10)5(4)11/h2,6H,1H3
InChIKeyHNVOZKJQMZDNKQ-UHFFFAOYSA-N
MW303.02 g/mol
LogP2.77
Rot. Bonds2

About 6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine

6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine (PubChem CID 130079854) has the molecular formula C7H5F3INO and a molecular weight of 303.02 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine
PubChem CID130079854
Molecular FormulaC7H5F3INO
Molecular Weight303.02 g/mol
Exact Mass302.94
IUPAC Name6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine
SMILESCOc1cc(C(F)F)nc(F)c1I
InChIInChI=1S/C7H5F3INO/c1-13-4-2-3(6(8)9)12-7(10)5(4)11/h2,6H,1H3
InChIKeyHNVOZKJQMZDNKQ-UHFFFAOYSA-N
XLogP2.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.02
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2-fluoro-4-methoxypyridin-3-ol
CID 130079256
methyl 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxylate
CID 133102179
6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide
CID 130085884
2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine
CID 118826386
methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
CID 133102109
6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine
CID 130100522
6-(difluoromethyl)-4-methoxy-2-methylpyridin-3-amine
CID 130105843
6-(difluoromethyl)-4-methoxy-3-methylpyridin-2-amine
CID 119005305
1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene
CID 130926019
ethyl 2-[6-(difluoromethyl)-2-fluoro-4-methoxy-3-pyridinyl]acetate
CID 133105470
ethyl 6-(difluoromethyl)-2-fluoro-3-iodopyridine-4-carboxylate
CID 133105829
[6-(difluoromethyl)-4-methoxy-3-methyl-2-pyridinyl]methanol
CID 130087896

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine?
The IUPAC name of 6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine (CID 130079854) is 6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine.
What is the SMILES notation for 6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine?
The canonical SMILES for 6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine is COc1cc(C(F)F)nc(F)c1I.
What is the InChIKey of 6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine?
The InChIKey is HNVOZKJQMZDNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO/c1-13-4-2-3(6(8)9)12-7(10)5(4)11/h2,6H,1H3.
What are the key properties of 6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine?
6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine has a molecular weight of 303.02 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine is sourced from PubChem (CID 130079854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).