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

C16H14F3N3O3 — CID 10618034

IUPACethyl 2-(2-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1NNC(=O)c1ccccc1
InChIInChI=1S/C16H14F3N3O3/c1-2-25-15(24)11-8-9-12(16(17,18)19)20-13(11)21-22-14(23)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyYFKJUGASWUJUIY-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.03
Rot. Bonds5

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

ethyl 2-(2-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 10618034) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is ethyl 2-(2-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID10618034
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC Nameethyl 2-(2-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1NNC(=O)c1ccccc1
InChIInChI=1S/C16H14F3N3O3/c1-2-25-15(24)11-8-9-12(16(17,18)19)20-13(11)21-22-14(23)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyYFKJUGASWUJUIY-UHFFFAOYSA-N
XLogP3.03
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.03
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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Related Compounds

Methyl 2-amino-6-methylpyridine-3-carboxylate
CID 13952721
Methyl 2-amino-6-(trifluoromethyl)nicotinate
CID 57671594
Ethyl 2-amino-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate
CID 25111013
Ethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate
CID 25111014
Ethyl 2-amino-6-(trifluoromethyl)nicotinate
CID 53419445
Ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate
CID 102172176
3-Ethoxycarbonyl-2,6-dimethylpyridine-5-carboxylic acid 2-(o-fluorobenzoyl) hydrazide
CID 129791079
Methyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate
CID 134833387
3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, 3-ethyl ester, 5-(2-benzoylhydrazide)
CID 2377324
Ethyl 2-Amino-4,6-dimethylpyridine-3-carboxylate
CID 11412898
Ethyl 4-phenyl-2-(2-phenylhydrazino)-3-quinolinecarboxylate
CID 372525
Ethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
CID 10496993

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate (CID 10618034) is ethyl 2-(2-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(C(F)(F)F)nc1NNC(=O)c1ccccc1.
What is the InChIKey of ethyl 2-(2-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is YFKJUGASWUJUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c1-2-25-15(24)11-8-9-12(16(17,18)19)20-13(11)21-22-14(23)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,20,21)(H,22,23).
What are the key properties of ethyl 2-(2-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-(2-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 353.30 g/mol, XLogP of 3.03, 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)-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 10618034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).