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

C13H16F3N3O4 — CID 10496993

IUPACethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)NNc1nc(C)cc(C(F)(F)F)c1C(=O)OCC
InChIInChI=1S/C13H16F3N3O4/c1-4-22-11(20)9-8(13(14,15)16)6-7(3)17-10(9)18-19-12(21)23-5-2/h6H,4-5H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyJDKNVYYHCJWVPP-UHFFFAOYSA-N
MW335.28 g/mol
LogP2.66
Rot. Bonds5

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

ethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 10496993) has the molecular formula C13H16F3N3O4 and a molecular weight of 335.28 g/mol. Its IUPAC name is ethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID10496993
Molecular FormulaC13H16F3N3O4
Molecular Weight335.28 g/mol
Exact Mass335.11
IUPAC Nameethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)NNc1nc(C)cc(C(F)(F)F)c1C(=O)OCC
InChIInChI=1S/C13H16F3N3O4/c1-4-22-11(20)9-8(13(14,15)16)6-7(3)17-10(9)18-19-12(21)23-5-2/h6H,4-5H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyJDKNVYYHCJWVPP-UHFFFAOYSA-N
XLogP2.66
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-6-(trifluoromethyl)nicotinate
CID 53419445
Ethyl 4,6-dimethyl-2-(methylamino)nicotinate
CID 11127499
Ethyl 2-(ethylamino)-4,6-dimethylnicotinate
CID 15421689
Ethyl 2-Amino-4,6-dimethylpyridine-3-carboxylate
CID 11412898
Ethyl 2-[2-(2-phenylacetyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 10499189
Ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
CID 10525663
Ethyl 2-(2-benzoylhydrazinyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 10546911
Ethyl 2-(2-acetylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
CID 10566479
Ethyl 2-(2-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 10618034
Ethyl 4-methyl-2-[2-(pyridine-4-carbonyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 10619008

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate (CID 10496993) is ethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)NNc1nc(C)cc(C(F)(F)F)c1C(=O)OCC.
What is the InChIKey of ethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is JDKNVYYHCJWVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O4/c1-4-22-11(20)9-8(13(14,15)16)6-7(3)17-10(9)18-19-12(21)23-5-2/h6H,4-5H2,1-3H3,(H,17,18)(H,19,21).
What are the key properties of ethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 335.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 10496993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).