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

C7H5ClF2INO2S — CID 118843440

IUPAC2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride
SMILESCc1c(I)cnc(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF2INO2S/c1-3-4(11)2-12-5(7(9)10)6(3)15(8,13)14/h2,7H,1H3
InChIKeyOJXCPBRLTPVMSV-UHFFFAOYSA-N
MW367.54 g/mol
LogP2.86
Rot. Bonds2

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

2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride (PubChem CID 118843440) has the molecular formula C7H5ClF2INO2S and a molecular weight of 367.54 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride
PubChem CID118843440
Molecular FormulaC7H5ClF2INO2S
Molecular Weight367.54 g/mol
Exact Mass366.87
IUPAC Name2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride
SMILESCc1c(I)cnc(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF2INO2S/c1-3-4(11)2-12-5(7(9)10)6(3)15(8,13)14/h2,7H,1H3
InChIKeyOJXCPBRLTPVMSV-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

2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride
CID 118837859
2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride
CID 118849085
2-(difluoromethyl)-5-hydroxy-4-iodopyridine-3-sulfonyl chloride
CID 118854704
4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride
CID 118852049
2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile
CID 130077203
[2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol
CID 118832165
4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
CID 118800549
5-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonyl chloride
CID 130069032
5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084836
4-cyano-2-(difluoromethyl)-5-methylpyridine-3-sulfonamide
CID 118821692
2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine
CID 130101179
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride
CID 118823664

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride (CID 118843440) is 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride is Cc1c(I)cnc(C(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride?
The InChIKey is OJXCPBRLTPVMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2INO2S/c1-3-4(11)2-12-5(7(9)10)6(3)15(8,13)14/h2,7H,1H3.
What are the key properties of 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride?
2-(difluoromethyl)-5-iodo-4-methylpyridine-3-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 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 118843440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).