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

C7H5ClF2INO3S — CID 118854766

IUPAC6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)nc(C(F)F)c1I
InChIInChI=1S/C7H5ClF2INO3S/c1-15-3-2-4(16(8,13)14)12-6(5(3)11)7(9)10/h2,7H,1H3
InChIKeySMEMPMCNVFSPNX-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.56
Rot. Bonds3

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

6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride (PubChem CID 118854766) has the molecular formula C7H5ClF2INO3S and a molecular weight of 383.54 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride
PubChem CID118854766
Molecular FormulaC7H5ClF2INO3S
Molecular Weight383.54 g/mol
Exact Mass382.87
IUPAC Name6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)nc(C(F)F)c1I
InChIInChI=1S/C7H5ClF2INO3S/c1-15-3-2-4(16(8,13)14)12-6(5(3)11)7(9)10/h2,7H,1H3
InChIKeySMEMPMCNVFSPNX-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

6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride
CID 118815349
2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine
CID 118826386
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde
CID 118825947
6-(difluoromethyl)-4,5-difluoropyridine-2-sulfonyl chloride
CID 130099948
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
CID 130074002
2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride
CID 118843442
6-chloro-2-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
CID 130073999
4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130099502
6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
CID 118815341
6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride
CID 130073549
4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride
CID 118824318
2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride
CID 118837893

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride?
The IUPAC name of 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride (CID 118854766) is 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride is COc1cc(S(=O)(=O)Cl)nc(C(F)F)c1I.
What is the InChIKey of 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride?
The InChIKey is SMEMPMCNVFSPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2INO3S/c1-15-3-2-4(16(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-methoxypyridine-2-sulfonyl chloride?
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-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 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride is sourced from PubChem (CID 118854766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).