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

C7H5ClF2INO2S — CID 130086391

IUPAC6-(difluoromethyl)-4-iodo-3-methylpyridine-2-sulfonyl chloride
SMILESCc1c(I)cc(C(F)F)nc1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF2INO2S/c1-3-4(11)2-5(6(9)10)12-7(3)15(8,13)14/h2,6H,1H3
InChIKeyWWXGGETVFAELJW-UHFFFAOYSA-N
MW367.54 g/mol
LogP2.86
Rot. Bonds2

About 6-(difluoromethyl)-4-iodo-3-methylpyridine-2-sulfonyl chloride

6-(difluoromethyl)-4-iodo-3-methylpyridine-2-sulfonyl chloride (PubChem CID 130086391) has the molecular formula C7H5ClF2INO2S and a molecular weight of 367.54 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-iodo-3-methylpyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-4-iodo-3-methylpyridine-2-sulfonyl chloride
PubChem CID130086391
Molecular FormulaC7H5ClF2INO2S
Molecular Weight367.54 g/mol
Exact Mass366.87
IUPAC Name6-(difluoromethyl)-4-iodo-3-methylpyridine-2-sulfonyl chloride
SMILESCc1c(I)cc(C(F)F)nc1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF2INO2S/c1-3-4(11)2-5(6(9)10)12-7(3)15(8,13)14/h2,6H,1H3
InChIKeyWWXGGETVFAELJW-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-chloro-6-(difluoromethyl)-3-hydroxypyridine-2-sulfonyl chloride
CID 130072883
4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride
CID 118852049
4-amino-3-bromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118817000
3-chloro-6-(difluoromethyl)-2-methylpyridine-4-sulfonyl chloride
CID 130074580
3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446537
6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride
CID 130068552
3-bromo-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131491229
4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride
CID 118829623
4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 118816647
4-chloro-3-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride
CID 130074573
6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride
CID 130080374
3-amino-6-(difluoromethyl)-4-methylpyridine-2-sulfonamide
CID 130106771

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-iodo-3-methylpyridine-2-sulfonyl chloride?
The IUPAC name of 6-(difluoromethyl)-4-iodo-3-methylpyridine-2-sulfonyl chloride (CID 130086391) is 6-(difluoromethyl)-4-iodo-3-methylpyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-4-iodo-3-methylpyridine-2-sulfonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-4-iodo-3-methylpyridine-2-sulfonyl chloride is Cc1c(I)cc(C(F)F)nc1S(=O)(=O)Cl.
What is the InChIKey of 6-(difluoromethyl)-4-iodo-3-methylpyridine-2-sulfonyl chloride?
The InChIKey is WWXGGETVFAELJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2INO2S/c1-3-4(11)2-5(6(9)10)12-7(3)15(8,13)14/h2,6H,1H3.
What are the key properties of 6-(difluoromethyl)-4-iodo-3-methylpyridine-2-sulfonyl chloride?
6-(difluoromethyl)-4-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 6-(difluoromethyl)-4-iodo-3-methylpyridine-2-sulfonyl chloride is sourced from PubChem (CID 130086391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).