2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride

C7H5ClF2INO3S — CID 118849085

IUPAC2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride
SMILESCOc1c(C(F)F)ncc(I)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF2INO3S/c1-15-5-4(7(9)10)12-2-3(11)6(5)16(8,13)14/h2,7H,1H3
InChIKeyCJJCXGNLVJPXCA-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.56
Rot. Bonds3

About 2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride

2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride (PubChem CID 118849085) has the molecular formula C7H5ClF2INO3S and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride
PubChem CID118849085
Molecular FormulaC7H5ClF2INO3S
Molecular Weight383.54 g/mol
Exact Mass382.87
IUPAC Name2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride
SMILESCOc1c(C(F)F)ncc(I)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF2INO3S/c1-15-5-4(7(9)10)12-2-3(11)6(5)16(8,13)14/h2,7H,1H3
InChIKeyCJJCXGNLVJPXCA-UHFFFAOYSA-N
XLogP2.56
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonyl chloride
CID 130069032
2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride
CID 118843440
2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-sulfonamide
CID 118820670
4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine
CID 130085626
6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride
CID 118849103
2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride
CID 130073994
[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]methanol
CID 118831773
2-(difluoromethyl)-5-hydroxy-4-iodopyridine-3-sulfonyl chloride
CID 118854704
5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131369998
6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
CID 118815341
2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride
CID 118837859
2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride
CID 118837893

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride?
The IUPAC name of 2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride (CID 118849085) is 2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride is COc1c(C(F)F)ncc(I)c1S(=O)(=O)Cl.
What is the InChIKey of 2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride?
The InChIKey is CJJCXGNLVJPXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2INO3S/c1-15-5-4(7(9)10)12-2-3(11)6(5)16(8,13)14/h2,7H,1H3.
What are the key properties of 2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride?
2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride has a molecular weight of 383.54 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride is sourced from PubChem (CID 118849085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).