lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide

C38H49LiN10O12 — CID 164996206

About lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide

lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide (PubChem CID 164996206) has the molecular formula C38H49LiN10O12 and a molecular weight of 844.81 g/mol. Its IUPAC name is lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide
• PubChem CID: 164996206
• Molecular Formula: C38H49LiN10O12
• Molecular Weight: 844.81 g/mol
• Exact Mass: 844.37
• IUPAC Name: lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide
• SMILES: CCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1cccc(OC)n1.COc1cccc(-n2nc(C)cc2C(=O)O)n1.COc1cccc(NN)n1.[Li+].[OH-]
• InChI: InChI=1S/C13H15N3O3.C11H11N3O3.C8H13NO4.C6H9N3O.Li.H2O/c1-4-19-13(17)10-8-9(2)15-16(10)11-6-5-7-12(14-11)18-3;1-7-6-8(11(15)16)14(13-7)9-4-3-5-10(12-9)17-2;1-4-13-8(11)7(9-12-3)5-6(2)10;1-10-6-4-2-3-5(8-6)9-7;;/h5-8H,4H2,1-3H3;3-6H,1-2H3,(H,15,16);4-5H2,1-3H3;2-4H,7H2,1H3,(H,8,9);;1H2/q;;;;+1;/p-1
• InChIKey: HOZCFDMFTFRKLI-UHFFFAOYSA-M
• XLogP: 0.78
• TPSA: 298.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.81
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide?

The IUPAC name of lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide (CID 164996206) is lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide.

What is the SMILES notation for lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide?

The canonical SMILES for lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide is CCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1cccc(OC)n1.COc1cccc(-n2nc(C)cc2C(=O)O)n1.COc1cccc(NN)n1.[Li+].[OH-].

What is the InChIKey of lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide?

The InChIKey is HOZCFDMFTFRKLI-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H15N3O3.C11H11N3O3.C8H13NO4.C6H9N3O.Li.H2O/c1-4-19-13(17)10-8-9(2)15-16(10)11-6-5-7-12(14-11)18-3;1-7-6-8(11(15)16)14(13-7)9-4-3-5-10(12-9)17-2;1-4-13-8(11)7(9-12-3)5-6(2)10;1-10-6-4-2-3-5(8-6)9-7;;/h5-8H,4H2,1-3H3;3-6H,1-2H3,(H,15,16);4-5H2,1-3H3;2-4H,7H2,1H3,(H,8,9);;1H2/q;;;;+1;/p-1.

What are the key properties of lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide?

lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide has a molecular weight of 844.81 g/mol, XLogP of 0.78, 14 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide is sourced from PubChem (CID 164996206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).