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

C7H5ClF2INO2S — CID 118852049

IUPAC4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)ncc(I)c1C(F)F
InChIInChI=1S/C7H5ClF2INO2S/c1-3-5(6(9)10)4(11)2-12-7(3)15(8,13)14/h2,6H,1H3
InChIKeyIZBHEMMTOUDKOU-UHFFFAOYSA-N
MW367.54 g/mol
LogP2.86
Rot. Bonds2

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

4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride (PubChem CID 118852049) has the molecular formula C7H5ClF2INO2S and a molecular weight of 367.54 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride
PubChem CID118852049
Molecular FormulaC7H5ClF2INO2S
Molecular Weight367.54 g/mol
Exact Mass366.87
IUPAC Name4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)ncc(I)c1C(F)F
InChIInChI=1S/C7H5ClF2INO2S/c1-3-5(6(9)10)4(11)2-12-7(3)15(8,13)14/h2,6H,1H3
InChIKeyIZBHEMMTOUDKOU-UHFFFAOYSA-N
XLogP2.86
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 118822917
2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride
CID 118843440
4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 118816647
4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride
CID 118838566
6-(difluoromethyl)-4-iodo-3-methylpyridine-2-sulfonyl chloride
CID 130086391
3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 130096937
5-amino-4-chloro-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103084
5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
CID 130072158
3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069020
6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride
CID 130068552
5-cyano-3-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130076373
3,5-difluoro-4-methylpyridine-2-sulfonyl chloride
CID 146421692

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride?
The IUPAC name of 4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride (CID 118852049) is 4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride is Cc1c(S(=O)(=O)Cl)ncc(I)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride?
The InChIKey is IZBHEMMTOUDKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2INO2S/c1-3-5(6(9)10)4(11)2-12-7(3)15(8,13)14/h2,6H,1H3.
What are the key properties of 4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride?
4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride has a molecular weight of 367.54 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride is sourced from PubChem (CID 118852049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).