5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride

C7H4ClF3INO3S — CID 131369998

IUPAC5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
SMILESCc1ncc(I)c(S(=O)(=O)Cl)c1OC(F)(F)F
InChIInChI=1S/C7H4ClF3INO3S/c1-3-5(16-7(9,10)11)6(17(8,14)15)4(12)2-13-3/h2H,1H3
InChIKeySMNMIANXNBXCJS-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.82
Rot. Bonds2

About 5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride

5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride (PubChem CID 131369998) has the molecular formula C7H4ClF3INO3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
PubChem CID131369998
Molecular FormulaC7H4ClF3INO3S
Molecular Weight401.53 g/mol
Exact Mass400.86
IUPAC Name5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
SMILESCc1ncc(I)c(S(=O)(=O)Cl)c1OC(F)(F)F
InChIInChI=1S/C7H4ClF3INO3S/c1-3-5(16-7(9,10)11)6(17(8,14)15)4(12)2-13-3/h2H,1H3
InChIKeySMNMIANXNBXCJS-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-fluoro-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131492748
4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118822045
4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131319653
5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131370169
6-iodo-2-methyl-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131280044
2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride
CID 118849085
4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134661634
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134662373
6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131371074
5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine
CID 130112860
4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131312152
5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131346999

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride?
The IUPAC name of 5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride (CID 131369998) is 5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride.
What is the SMILES notation for 5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride?
The canonical SMILES for 5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride is Cc1ncc(I)c(S(=O)(=O)Cl)c1OC(F)(F)F.
What is the InChIKey of 5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride?
The InChIKey is SMNMIANXNBXCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3INO3S/c1-3-5(16-7(9,10)11)6(17(8,14)15)4(12)2-13-3/h2H,1H3.
What are the key properties of 5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride?
5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-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-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride is sourced from PubChem (CID 131369998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).