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

C8H7ClF3NO4S — CID 131319653

IUPAC4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCOc1c(OC(F)(F)F)cnc(C)c1S(=O)(=O)Cl
InChIInChI=1S/C8H7ClF3NO4S/c1-4-7(18(9,14)15)6(16-2)5(3-13-4)17-8(10,11)12/h3H,1-2H3
InChIKeyWIOLNESCTFGNGB-UHFFFAOYSA-N
MW305.66 g/mol
LogP2.22
Rot. Bonds3

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

4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 131319653) has the molecular formula C8H7ClF3NO4S and a molecular weight of 305.66 g/mol. Its IUPAC name is 4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID131319653
Molecular FormulaC8H7ClF3NO4S
Molecular Weight305.66 g/mol
Exact Mass304.97
IUPAC Name4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCOc1c(OC(F)(F)F)cnc(C)c1S(=O)(=O)Cl
InChIInChI=1S/C8H7ClF3NO4S/c1-4-7(18(9,14)15)6(16-2)5(3-13-4)17-8(10,11)12/h3H,1-2H3
InChIKeyWIOLNESCTFGNGB-UHFFFAOYSA-N
XLogP2.22
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.66
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131492748
5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131369998
4-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134660596
3-(bromomethyl)-4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine
CID 130113335
4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118850921
6-iodo-2-methyl-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131280044
4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118822045
3-hydroxy-2-methyl-5-(trifluoromethoxy)pyridine-4-sulfonamide
CID 134664231
2-iodo-3-methoxy-4-methyl-5-(trifluoromethoxy)pyridine
CID 130112538
6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131371074
6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131314313
3-(chloromethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine
CID 130113393

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 131319653) is 4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride is COc1c(OC(F)(F)F)cnc(C)c1S(=O)(=O)Cl.
What is the InChIKey of 4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is WIOLNESCTFGNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO4S/c1-4-7(18(9,14)15)6(16-2)5(3-13-4)17-8(10,11)12/h3H,1-2H3.
What are the key properties of 4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride has a molecular weight of 305.66 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 131319653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).