5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride

C7H4ClF3INO3S — CID 131346999

IUPAC5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)c(OC(F)(F)F)cc1I
InChIInChI=1S/C7H4ClF3INO3S/c1-3-4(12)2-5(16-7(9,10)11)6(13-3)17(8,14)15/h2H,1H3
InChIKeyCWRZGKKYSRMWSW-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.82
Rot. Bonds2

About 5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride

5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride (PubChem CID 131346999) has the molecular formula C7H4ClF3INO3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
PubChem CID131346999
Molecular FormulaC7H4ClF3INO3S
Molecular Weight401.53 g/mol
Exact Mass400.86
IUPAC Name5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)c(OC(F)(F)F)cc1I
InChIInChI=1S/C7H4ClF3INO3S/c1-3-4(12)2-5(16-7(9,10)11)6(13-3)17(8,14)15/h2H,1H3
InChIKeyCWRZGKKYSRMWSW-UHFFFAOYSA-N
XLogP2.82
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.82
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

3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131369994
6-iodo-2-methyl-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131280044
6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 119021551
6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131314313
3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134662375
4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131312152
6-(chloromethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134663474
6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131315423
3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine
CID 130112551
5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131369998
4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131319656
5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134663235

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The IUPAC name of 5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride (CID 131346999) is 5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The canonical SMILES for 5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride is Cc1nc(S(=O)(=O)Cl)c(OC(F)(F)F)cc1I.
What is the InChIKey of 5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The InChIKey is CWRZGKKYSRMWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3INO3S/c1-3-4(12)2-5(16-7(9,10)11)6(13-3)17(8,14)15/h2H,1H3.
What are the key properties of 5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride has a molecular weight of 401.53 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 131346999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).