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

C7H4ClF3INO3S — CID 131369994

IUPAC3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESCc1cc(I)c(S(=O)(=O)Cl)nc1OC(F)(F)F
InChIInChI=1S/C7H4ClF3INO3S/c1-3-2-4(12)6(17(8,14)15)13-5(3)16-7(9,10)11/h2H,1H3
InChIKeyDMHLVZCRAIZNAD-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.82
Rot. Bonds2

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

3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride (PubChem CID 131369994) has the molecular formula C7H4ClF3INO3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
PubChem CID131369994
Molecular FormulaC7H4ClF3INO3S
Molecular Weight401.53 g/mol
Exact Mass400.86
IUPAC Name3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESCc1cc(I)c(S(=O)(=O)Cl)nc1OC(F)(F)F
InChIInChI=1S/C7H4ClF3INO3S/c1-3-2-4(12)6(17(8,14)15)13-5(3)16-7(9,10)11/h2H,1H3
InChIKeyDMHLVZCRAIZNAD-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

5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131346999
5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134663235
5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134669577
4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131312152
2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine
CID 130984923
ethyl 2-[3-iodo-5-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134665864
6-iodo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131333881
4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 118845439
6-iodo-2-methyl-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131280044
4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118800492
4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131319656
3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134662375

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The IUPAC name of 3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride (CID 131369994) is 3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The canonical SMILES for 3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride is Cc1cc(I)c(S(=O)(=O)Cl)nc1OC(F)(F)F.
What is the InChIKey of 3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The InChIKey is DMHLVZCRAIZNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3INO3S/c1-3-2-4(12)6(17(8,14)15)13-5(3)16-7(9,10)11/h2H,1H3.
What are the key properties of 3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
3-iodo-5-methyl-6-(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 3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 131369994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).