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

C12H14F3N3O3 — CID 10566479

IUPACethyl 2-(2-acetylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)cc(C)nc1NNC(C)=O
InChIInChI=1S/C12H14F3N3O3/c1-4-21-11(20)9-8(12(13,14)15)5-6(2)16-10(9)18-17-7(3)19/h5H,4H2,1-3H3,(H,16,18)(H,17,19)
InChIKeySDFGNVBOVGZISP-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.05
Rot. Bonds4

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

ethyl 2-(2-acetylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 10566479) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is ethyl 2-(2-acetylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-acetylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID10566479
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Nameethyl 2-(2-acetylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)cc(C)nc1NNC(C)=O
InChIInChI=1S/C12H14F3N3O3/c1-4-21-11(20)9-8(12(13,14)15)5-6(2)16-10(9)18-17-7(3)19/h5H,4H2,1-3H3,(H,16,18)(H,17,19)
InChIKeySDFGNVBOVGZISP-UHFFFAOYSA-N
XLogP2.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.05
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

flupyrsulfuron-methyl TP4
CID 100975561
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-ethoxycarbonylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
CID 10496993
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-benzoylhydrazinyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 10618034

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-acetylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2-acetylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate (CID 10566479) is ethyl 2-(2-acetylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-acetylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-acetylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(C(F)(F)F)cc(C)nc1NNC(C)=O.
What is the InChIKey of ethyl 2-(2-acetylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is SDFGNVBOVGZISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-4-21-11(20)9-8(12(13,14)15)5-6(2)16-10(9)18-17-7(3)19/h5H,4H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of ethyl 2-(2-acetylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-(2-acetylhydrazinyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 305.26 g/mol, XLogP of 2.05, 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-methyl-4-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 10566479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).