2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol

C11H13F3N2OS — CID 135270986

IUPAC2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol
SMILESCCSc1cc(C(F)(F)F)cnc1/C=N/CCO
InChIInChI=1S/C11H13F3N2OS/c1-2-18-10-5-8(11(12,13)14)6-16-9(10)7-15-3-4-17/h5-7,17H,2-4H2,1H3/b15-7+
InChIKeyZHPQHTIMARDBLE-VIZOYTHASA-N
MW278.30 g/mol
LogP2.62
Rot. Bonds5

About 2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol

2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol (PubChem CID 135270986) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol.

Molecular Properties

Compound Name2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol
PubChem CID135270986
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol
SMILESCCSc1cc(C(F)(F)F)cnc1/C=N/CCO
InChIInChI=1S/C11H13F3N2OS/c1-2-18-10-5-8(11(12,13)14)6-16-9(10)7-15-3-4-17/h5-7,17H,2-4H2,1H3/b15-7+
InChIKeyZHPQHTIMARDBLE-VIZOYTHASA-N
XLogP2.62
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol?
The IUPAC name of 2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol (CID 135270986) is 2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol.
What is the SMILES notation for 2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol?
The canonical SMILES for 2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol is CCSc1cc(C(F)(F)F)cnc1/C=N/CCO.
What is the InChIKey of 2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol?
The InChIKey is ZHPQHTIMARDBLE-VIZOYTHASA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-2-18-10-5-8(11(12,13)14)6-16-9(10)7-15-3-4-17/h5-7,17H,2-4H2,1H3/b15-7+.
What are the key properties of 2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol?
2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol has a molecular weight of 278.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methylideneamino]ethanol is sourced from PubChem (CID 135270986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).