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

C8H7ClF3NO4S — CID 131315423

IUPAC6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESCOc1nc(S(=O)(=O)Cl)cc(OC(F)(F)F)c1C
InChIInChI=1S/C8H7ClF3NO4S/c1-4-5(17-8(10,11)12)3-6(18(9,14)15)13-7(4)16-2/h3H,1-2H3
InChIKeyARVMHNAPFGPDKT-UHFFFAOYSA-N
MW305.66 g/mol
LogP2.22
Rot. Bonds3

About 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride

6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride (PubChem CID 131315423) has the molecular formula C8H7ClF3NO4S and a molecular weight of 305.66 g/mol. Its IUPAC name is 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
PubChem CID131315423
Molecular FormulaC8H7ClF3NO4S
Molecular Weight305.66 g/mol
Exact Mass304.97
IUPAC Name6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESCOc1nc(S(=O)(=O)Cl)cc(OC(F)(F)F)c1C
InChIInChI=1S/C8H7ClF3NO4S/c1-4-5(17-8(10,11)12)3-6(18(9,14)15)13-7(4)16-2/h3H,1-2H3
InChIKeyARVMHNAPFGPDKT-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

Analyze 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131319656
6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131314313
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134671418
ethyl 2-[6-methoxy-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134681825
4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 118845439
6-iodo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131333881
5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131346999
4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118800492
3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134662375
6-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonamide
CID 134679348
6-methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669634
6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134677984

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The IUPAC name of 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride (CID 131315423) is 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The canonical SMILES for 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride is COc1nc(S(=O)(=O)Cl)cc(OC(F)(F)F)c1C.
What is the InChIKey of 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The InChIKey is ARVMHNAPFGPDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO4S/c1-4-5(17-8(10,11)12)3-6(18(9,14)15)13-7(4)16-2/h3H,1-2H3.
What are the key properties of 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-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 6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 131315423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).