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

C7H5F3INO — CID 118826386

IUPAC2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine
SMILESCOc1cc(F)nc(C(F)F)c1I
InChIInChI=1S/C7H5F3INO/c1-13-3-2-4(8)12-6(5(3)11)7(9)10/h2,7H,1H3
InChIKeyGXFOBFSCJDIOJA-UHFFFAOYSA-N
MW303.02 g/mol
LogP2.77
Rot. Bonds2

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

2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine (PubChem CID 118826386) has the molecular formula C7H5F3INO and a molecular weight of 303.02 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine
PubChem CID118826386
Molecular FormulaC7H5F3INO
Molecular Weight303.02 g/mol
Exact Mass302.94
IUPAC Name2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine
SMILESCOc1cc(F)nc(C(F)F)c1I
InChIInChI=1S/C7H5F3INO/c1-13-3-2-4(8)12-6(5(3)11)7(9)10/h2,7H,1H3
InChIKeyGXFOBFSCJDIOJA-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)-5-iodo-4-methoxypyridine-2-carbaldehyde
CID 118825947
2-(difluoromethyl)-6-fluoro-3,4-diiodopyridine
CID 118842841
2-(difluoromethyl)-4,6-difluoro-3-iodopyridine
CID 118846195
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride
CID 118854766
6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine
CID 130079854
2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine
CID 118842846
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine
CID 130080031
2-(difluoromethyl)-6-iodo-4-methoxypyridine-3-sulfonamide
CID 119008795
[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine
CID 130085543
2-(difluoromethyl)-3-iodo-6-methoxypyridin-4-amine
CID 118840612
2-bromo-6-(difluoromethyl)-5-fluoro-3-methoxypyridine
CID 119009048
6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080615

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine?
The IUPAC name of 2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine (CID 118826386) is 2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine.
What is the SMILES notation for 2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine?
The canonical SMILES for 2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine is COc1cc(F)nc(C(F)F)c1I.
What is the InChIKey of 2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine?
The InChIKey is GXFOBFSCJDIOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO/c1-13-3-2-4(8)12-6(5(3)11)7(9)10/h2,7H,1H3.
What are the key properties of 2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine?
2-(difluoromethyl)-6-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 2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine is sourced from PubChem (CID 118826386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).