2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine

C15H17F2NO4S — CID 141042914

IUPAC2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(CS(=O)C2C=CC(OC(F)F)=CC2)c1OC
InChIInChI=1S/C15H17F2NO4S/c1-20-13-7-8-18-12(14(13)21-2)9-23(19)11-5-3-10(4-6-11)22-15(16)17/h3-5,7-8,11,15H,6,9H2,1-2H3
InChIKeyGHUFRJUQFGJOHR-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.80
Rot. Bonds7

About 2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine

2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine (PubChem CID 141042914) has the molecular formula C15H17F2NO4S and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine
PubChem CID141042914
Molecular FormulaC15H17F2NO4S
Molecular Weight345.37 g/mol
Exact Mass345.08
IUPAC Name2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(CS(=O)C2C=CC(OC(F)F)=CC2)c1OC
InChIInChI=1S/C15H17F2NO4S/c1-20-13-7-8-18-12(14(13)21-2)9-23(19)11-5-3-10(4-6-11)22-15(16)17/h3-5,7-8,11,15H,6,9H2,1-2H3
InChIKeyGHUFRJUQFGJOHR-UHFFFAOYSA-N
XLogP2.80
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine 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

4,5-Dimethoxy-2-(methylsulfanylmethyl)pyridine
CID 56666339
3,4-Dimethoxy-2-(methylsulfanylmethyl)pyridine
CID 56679900
2-(Benzhydrylsulfinylmethyl)-3,4-dimethoxypyridine
CID 137654081
3,4-Dimethoxy-2-methylpyridine
CID 639879
3,4-Dimethoxy-2-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyridine
CID 121517445
(2R,3R,4S,5S)-2-[6-(trifluoromethyl)pyridin-3-yl]oxythiane-3,4,5-triol
CID 11209122
Pyridine, 3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)-, 1-oxide
CID 14402953
3-Methoxy-2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)pyridine
CID 20142800
3-Methoxy-2-methyl-4-(1,1,2,3,3-pentafluoropropoxy)pyridine
CID 20142803
2-[(E)-1-(4-methylsulfanylcyclohexyl)prop-1-en-2-yl]-5-(trifluoromethoxy)pyridine
CID 20692872
2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine
CID 20692878
6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole
CID 20824974

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine?
The IUPAC name of 2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine (CID 141042914) is 2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine.
What is the SMILES notation for 2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine?
The canonical SMILES for 2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine is COc1ccnc(CS(=O)C2C=CC(OC(F)F)=CC2)c1OC.
What is the InChIKey of 2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine?
The InChIKey is GHUFRJUQFGJOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO4S/c1-20-13-7-8-18-12(14(13)21-2)9-23(19)11-5-3-10(4-6-11)22-15(16)17/h3-5,7-8,11,15H,6,9H2,1-2H3.
What are the key properties of 2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine?
2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine has a molecular weight of 345.37 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3,4-dimethoxypyridine is sourced from PubChem (CID 141042914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).