ethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate

C11H12F3N3O3 — CID 10827400

IUPACethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1NNC(C)=O
InChIInChI=1S/C11H12F3N3O3/c1-3-20-10(19)7-4-5-8(11(12,13)14)15-9(7)17-16-6(2)18/h4-5H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyGTIPHFCPAFRYAK-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.74
Rot. Bonds4

About ethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate

ethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 10827400) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is ethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID10827400
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Nameethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1NNC(C)=O
InChIInChI=1S/C11H12F3N3O3/c1-3-20-10(19)7-4-5-8(11(12,13)14)15-9(7)17-16-6(2)18/h4-5H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyGTIPHFCPAFRYAK-UHFFFAOYSA-N
XLogP1.74
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate (CID 10827400) is ethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(C(F)(F)F)nc1NNC(C)=O.
What is the InChIKey of ethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is GTIPHFCPAFRYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c1-3-20-10(19)7-4-5-8(11(12,13)14)15-9(7)17-16-6(2)18/h4-5H,3H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of ethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 291.23 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-acetylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 10827400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).