(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine

C15H12ClF3N2O — CID 88957471

IUPAC(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine
SMILESC/C(=N\OCc1cccnc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C15H12ClF3N2O/c1-10(21-22-9-11-3-2-6-20-8-11)13-7-12(16)4-5-14(13)15(17,18)19/h2-8H,9H2,1H3/b21-10+
InChIKeyYCGPWRKSPSAOEU-UFFVCSGVSA-N
MW328.72 g/mol
LogP4.69
Rot. Bonds4

About (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine (PubChem CID 88957471) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine.

Molecular Properties

Compound Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine
PubChem CID88957471
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine
SMILESC/C(=N\OCc1cccnc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C15H12ClF3N2O/c1-10(21-22-9-11-3-2-6-20-8-11)13-7-12(16)4-5-14(13)15(17,18)19/h2-8H,9H2,1H3/b21-10+
InChIKeyYCGPWRKSPSAOEU-UFFVCSGVSA-N
XLogP4.69
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine?
The IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine (CID 88957471) is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine.
What is the SMILES notation for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine?
The canonical SMILES for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine is C/C(=N\OCc1cccnc1)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine?
The InChIKey is YCGPWRKSPSAOEU-UFFVCSGVSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c1-10(21-22-9-11-3-2-6-20-8-11)13-7-12(16)4-5-14(13)15(17,18)19/h2-8H,9H2,1H3/b21-10+.
What are the key properties of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine?
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine has a molecular weight of 328.72 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine is sourced from PubChem (CID 88957471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).