4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine

C9H10F3NOS — CID 141338922

IUPAC4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine
SMILESCCSc1ccnc(C(F)(F)F)c1OC
InChIInChI=1S/C9H10F3NOS/c1-3-15-6-4-5-13-8(7(6)14-2)9(10,11)12/h4-5H,3H2,1-2H3
InChIKeyGUOCVVZKIZKWGT-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.22
Rot. Bonds3

About 4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine

4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine (PubChem CID 141338922) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine
PubChem CID141338922
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine
SMILESCCSc1ccnc(C(F)(F)F)c1OC
InChIInChI=1S/C9H10F3NOS/c1-3-15-6-4-5-13-8(7(6)14-2)9(10,11)12/h4-5H,3H2,1-2H3
InChIKeyGUOCVVZKIZKWGT-UHFFFAOYSA-N
XLogP3.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(phenylsulfanyl)pyridin-3-yl ether
CID 817499
3-Methoxy-2-methylpyridine
CID 3015270
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
5-Methoxy-2-(trifluoromethyl)pyridine
CID 22000196
2-Ethenyl-3-methoxypyridine
CID 56972700
2-[(4-Methoxyphenyl)sulfanylmethyl]pyridine;hydrochloride
CID 13058711
2-[(3-Methoxyphenyl)sulfanylmethyl]pyridine;hydrochloride
CID 13058715
2-[(4-Bromophenyl)sulfanylmethyl]-3-methoxypyridine;hydrochloride
CID 13058719
2-Methyl-5-(2,2,2-trifluoroethoxy)pyridine
CID 23568433
2-(2-((4-Methoxyphenyl)thio)ethyl)pyridine
CID 872466

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine (CID 141338922) is 4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine is CCSc1ccnc(C(F)(F)F)c1OC.
What is the InChIKey of 4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine?
The InChIKey is GUOCVVZKIZKWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-3-15-6-4-5-13-8(7(6)14-2)9(10,11)12/h4-5H,3H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine?
4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine has a molecular weight of 237.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-3-methoxy-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 141338922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).