1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine

C8H8F3N3 — CID 130374219

IUPAC1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine
SMILES[H]/N=C(\C)n1ccc(C(F)(F)F)c/c1=N\[H]
InChIInChI=1S/C8H8F3N3/c1-5(12)14-3-2-6(4-7(14)13)8(9,10)11/h2-4,12-13H,1H3/b12-5+,13-7+
InChIKeyFVTXQIGEZZPHOU-HBGINIEDSA-N
MW203.17 g/mol
LogP1.83
Rot. Bonds

About 1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine

1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine (PubChem CID 130374219) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is 1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine.

Molecular Properties

Compound Name1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine
PubChem CID130374219
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine
SMILES[H]/N=C(\C)n1ccc(C(F)(F)F)c/c1=N\[H]
InChIInChI=1S/C8H8F3N3/c1-5(12)14-3-2-6(4-7(14)13)8(9,10)11/h2-4,12-13H,1H3/b12-5+,13-7+
InChIKeyFVTXQIGEZZPHOU-HBGINIEDSA-N
XLogP1.83
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine?
The IUPAC name of 1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine (CID 130374219) is 1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine.
What is the SMILES notation for 1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine?
The canonical SMILES for 1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine is [H]/N=C(\C)n1ccc(C(F)(F)F)c/c1=N\[H].
What is the InChIKey of 1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine?
The InChIKey is FVTXQIGEZZPHOU-HBGINIEDSA-N. The full InChI is InChI=1S/C8H8F3N3/c1-5(12)14-3-2-6(4-7(14)13)8(9,10)11/h2-4,12-13H,1H3/b12-5+,13-7+.
What are the key properties of 1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine?
1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine has a molecular weight of 203.17 g/mol, XLogP of 1.83, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine is sourced from PubChem (CID 130374219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).