ethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

C17H16F3N3O3 — CID 10546911

IUPACethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(C(F)(F)F)nc1NNC(=O)c1ccccc1
InChIInChI=1S/C17H16F3N3O3/c1-3-26-16(25)13-10(2)9-12(17(18,19)20)21-14(13)22-23-15(24)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyUGGGFYCAYPXGDK-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.34
Rot. Bonds5

About ethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

ethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 10546911) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is ethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID10546911
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Nameethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(C(F)(F)F)nc1NNC(=O)c1ccccc1
InChIInChI=1S/C17H16F3N3O3/c1-3-26-16(25)13-10(2)9-12(17(18,19)20)21-14(13)22-23-15(24)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyUGGGFYCAYPXGDK-UHFFFAOYSA-N
XLogP3.34
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.34
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-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (CID 10546911) is ethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(C)cc(C(F)(F)F)nc1NNC(=O)c1ccccc1.
What is the InChIKey of ethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is UGGGFYCAYPXGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-3-26-16(25)13-10(2)9-12(17(18,19)20)21-14(13)22-23-15(24)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of ethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 367.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 10546911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).