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

C7H5ClF2INO2S — CID 118815349

IUPAC6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)nc(C(F)F)c1I
InChIInChI=1S/C7H5ClF2INO2S/c1-3-2-4(15(8,13)14)12-6(5(3)11)7(9)10/h2,7H,1H3
InChIKeyBUNOYVJTZXEONI-UHFFFAOYSA-N
MW367.54 g/mol
LogP2.86
Rot. Bonds2

About 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride

6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride (PubChem CID 118815349) has the molecular formula C7H5ClF2INO2S and a molecular weight of 367.54 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride
PubChem CID118815349
Molecular FormulaC7H5ClF2INO2S
Molecular Weight367.54 g/mol
Exact Mass366.87
IUPAC Name6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)nc(C(F)F)c1I
InChIInChI=1S/C7H5ClF2INO2S/c1-3-2-4(15(8,13)14)12-6(5(3)11)7(9)10/h2,7H,1H3
InChIKeyBUNOYVJTZXEONI-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

6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride
CID 118854766
4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130099502
6-(difluoromethyl)-4,5-difluoropyridine-2-sulfonyl chloride
CID 130099948
6-(difluoromethyl)-5-iodo-4-methylpyridin-2-amine
CID 130105196
6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride
CID 130073549
5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130071456
5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446499
5-amino-4-bromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130102315
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084815
methyl 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-carboxylate
CID 130086259
6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride
CID 118809670
4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride
CID 118829623

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride?
The IUPAC name of 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride (CID 118815349) is 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride is Cc1cc(S(=O)(=O)Cl)nc(C(F)F)c1I.
What is the InChIKey of 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride?
The InChIKey is BUNOYVJTZXEONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2INO2S/c1-3-2-4(15(8,13)14)12-6(5(3)11)7(9)10/h2,7H,1H3.
What are the key properties of 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride?
6-(difluoromethyl)-5-iodo-4-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)-5-iodo-4-methylpyridine-2-sulfonyl chloride is sourced from PubChem (CID 118815349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).