3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine

C11H14F3NO3S — CID 141058414

IUPAC3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine
SMILESCOc1c(OCCOCC(F)(F)F)ccnc1SC
InChIInChI=1S/C11H14F3NO3S/c1-16-9-8(3-4-15-10(9)19-2)18-6-5-17-7-11(12,13)14/h3-4H,5-7H2,1-2H3
InChIKeyAOLZCFHJDZHPBZ-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.77
Rot. Bonds7

About 3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine

3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine (PubChem CID 141058414) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is 3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine.

Molecular Properties

Compound Name3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine
PubChem CID141058414
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Name3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine
SMILESCOc1c(OCCOCC(F)(F)F)ccnc1SC
InChIInChI=1S/C11H14F3NO3S/c1-16-9-8(3-4-15-10(9)19-2)18-6-5-17-7-11(12,13)14/h3-4H,5-7H2,1-2H3
InChIKeyAOLZCFHJDZHPBZ-UHFFFAOYSA-N
XLogP2.77
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(phenylsulfanyl)pyridin-3-yl ether
CID 817499
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-2-methylsulfanyl-pyridine
CID 44319233
4,5-Dimethoxy-2-(methylsulfanylmethyl)pyridine
CID 56666339
3,4-Dimethoxy-2-(methylsulfanylmethyl)pyridine
CID 56679900
2-Propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine
CID 12992128
2-Fluoro-3,4-dimethoxypyridine
CID 69021121
Bbuolkjmvsrqjp-uhfffaoysa-
CID 11457809
3-Ethoxypyridine-2-sulfonyl fluoride
CID 137944399
2-Benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine
CID 91315360
3-Methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine
CID 162401320
2-Tert-butyl-3-fluoro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide
CID 162410932
2,2-Difluoro-[1,3]oxathiolo[4,5-b]pyridine
CID 162410988

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine?
The IUPAC name of 3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine (CID 141058414) is 3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine.
What is the SMILES notation for 3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine?
The canonical SMILES for 3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine is COc1c(OCCOCC(F)(F)F)ccnc1SC.
What is the InChIKey of 3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine?
The InChIKey is AOLZCFHJDZHPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-16-9-8(3-4-15-10(9)19-2)18-6-5-17-7-11(12,13)14/h3-4H,5-7H2,1-2H3.
What are the key properties of 3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine?
3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine has a molecular weight of 297.30 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylsulfanyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]pyridine is sourced from PubChem (CID 141058414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).