3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride

C11H12ClF3N2OS — CID 135270987

IUPAC3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride
SMILESCCSc1cc(C(F)(F)F)cnc1/C(Cl)=N/CCO
InChIInChI=1S/C11H12ClF3N2OS/c1-2-19-8-5-7(11(13,14)15)6-17-9(8)10(12)16-3-4-18/h5-6,18H,2-4H2,1H3/b16-10-
InChIKeyGLFXRVTUYMUZSP-YBEGLDIGSA-N
MW312.74 g/mol
LogP3.19
Rot. Bonds5

About 3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride

3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride (PubChem CID 135270987) has the molecular formula C11H12ClF3N2OS and a molecular weight of 312.74 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride.

Molecular Properties

Compound Name3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride
PubChem CID135270987
Molecular FormulaC11H12ClF3N2OS
Molecular Weight312.74 g/mol
Exact Mass312.03
IUPAC Name3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride
SMILESCCSc1cc(C(F)(F)F)cnc1/C(Cl)=N/CCO
InChIInChI=1S/C11H12ClF3N2OS/c1-2-19-8-5-7(11(13,14)15)6-17-9(8)10(12)16-3-4-18/h5-6,18H,2-4H2,1H3/b16-10-
InChIKeyGLFXRVTUYMUZSP-YBEGLDIGSA-N
XLogP3.19
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 53.19
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 3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride?
The IUPAC name of 3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride (CID 135270987) is 3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride.
What is the SMILES notation for 3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride?
The canonical SMILES for 3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride is CCSc1cc(C(F)(F)F)cnc1/C(Cl)=N/CCO.
What is the InChIKey of 3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride?
The InChIKey is GLFXRVTUYMUZSP-YBEGLDIGSA-N. The full InChI is InChI=1S/C11H12ClF3N2OS/c1-2-19-8-5-7(11(13,14)15)6-17-9(8)10(12)16-3-4-18/h5-6,18H,2-4H2,1H3/b16-10-.
What are the key properties of 3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride?
3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride has a molecular weight of 312.74 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboximidoyl chloride is sourced from PubChem (CID 135270987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).