ethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate

C17H16F3N3O3 — CID 10499189

IUPACethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1NNC(=O)Cc1ccccc1
InChIInChI=1S/C17H16F3N3O3/c1-2-26-16(25)12-8-9-13(17(18,19)20)21-15(12)23-22-14(24)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyJELJGAXEXNCVLW-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.96
Rot. Bonds6

About ethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate

ethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 10499189) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is ethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID10499189
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Nameethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1NNC(=O)Cc1ccccc1
InChIInChI=1S/C17H16F3N3O3/c1-2-26-16(25)12-8-9-13(17(18,19)20)21-15(12)23-22-14(24)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyJELJGAXEXNCVLW-UHFFFAOYSA-N
XLogP2.96
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.96
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-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate (CID 10499189) is ethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(C(F)(F)F)nc1NNC(=O)Cc1ccccc1.
What is the InChIKey of ethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is JELJGAXEXNCVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-2-26-16(25)12-8-9-13(17(18,19)20)21-15(12)23-22-14(24)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 367.33 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 10499189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).