3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide

C9H10F3N3O — CID 612611

IUPAC3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncc(C(F)(F)F)cc1OCC
InChIInChI=1S/C9H10F3N3O/c1-2-16-6-3-5(9(10,11)12)4-15-7(6)8(13)14/h3-4H,2H2,1H3,(H3,13,14)
InChIKeyYOXIEFXNEWNBIW-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.78
Rot. Bonds3

About 3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide

3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide (PubChem CID 612611) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide
PubChem CID612611
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncc(C(F)(F)F)cc1OCC
InChIInChI=1S/C9H10F3N3O/c1-2-16-6-3-5(9(10,11)12)4-15-7(6)8(13)14/h3-4H,2H2,1H3,(H3,13,14)
InChIKeyYOXIEFXNEWNBIW-UHFFFAOYSA-N
XLogP1.78
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.78
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 3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide?
The IUPAC name of 3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide (CID 612611) is 3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide.
What is the SMILES notation for 3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide?
The canonical SMILES for 3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ncc(C(F)(F)F)cc1OCC.
What is the InChIKey of 3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide?
The InChIKey is YOXIEFXNEWNBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-2-16-6-3-5(9(10,11)12)4-15-7(6)8(13)14/h3-4H,2H2,1H3,(H3,13,14).
What are the key properties of 3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide?
3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide has a molecular weight of 233.19 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(trifluoromethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 612611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).