1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine

C7H6F3N3 — CID 168894280

IUPAC1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine
SMILES[H]/N=c1/c(C(F)(F)F)cccn1/C=N/[H]
InChIInChI=1S/C7H6F3N3/c8-7(9,10)5-2-1-3-13(4-11)6(5)12/h1-4,11-12H/b11-4+,12-6-
InChIKeyXEOWDUCQJQVGTE-SNNHKCHZSA-N
MW189.14 g/mol
LogP1.44
Rot. Bonds1

About 1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine

1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine (PubChem CID 168894280) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is 1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine.

Molecular Properties

Compound Name1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine
PubChem CID168894280
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Name1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine
SMILES[H]/N=c1/c(C(F)(F)F)cccn1/C=N/[H]
InChIInChI=1S/C7H6F3N3/c8-7(9,10)5-2-1-3-13(4-11)6(5)12/h1-4,11-12H/b11-4+,12-6-
InChIKeyXEOWDUCQJQVGTE-SNNHKCHZSA-N
XLogP1.44
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.44
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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Related Compounds

1-Methanimidoyl-4-(trifluoromethyl)pyridin-2-imine
CID 168894072
Cyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine
CID 168894279
1-(2,2,2-Trifluoroethyl)pyridin-2-imine
CID 90654285
1-(2,2-Difluoropropanimidoyl)pyridin-2-imine
CID 153536704
1-Methanimidoyl-3-methylpyridin-2-imine
CID 124030584
Ethane;1-methanimidoyl-3-methylpyridin-2-imine
CID 177143805

Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine?
The IUPAC name of 1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine (CID 168894280) is 1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine.
What is the SMILES notation for 1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine?
The canonical SMILES for 1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine is [H]/N=c1/c(C(F)(F)F)cccn1/C=N/[H].
What is the InChIKey of 1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine?
The InChIKey is XEOWDUCQJQVGTE-SNNHKCHZSA-N. The full InChI is InChI=1S/C7H6F3N3/c8-7(9,10)5-2-1-3-13(4-11)6(5)12/h1-4,11-12H/b11-4+,12-6-.
What are the key properties of 1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine?
1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine has a molecular weight of 189.14 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine is sourced from PubChem (CID 168894280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).