lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate

C44H61ClLiN13O10 — CID 164994993

About lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate

lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate (PubChem CID 164994993) has the molecular formula C44H61ClLiN13O10 and a molecular weight of 974.45 g/mol. Its IUPAC name is lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate
• PubChem CID: 164994993
• Molecular Formula: C44H61ClLiN13O10
• Molecular Weight: 974.45 g/mol
• Exact Mass: 973.45
• IUPAC Name: lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate
• SMILES: CCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1cccc(C)n1.Cc1cccc(-n2nc(C)cc2C(=O)O)n1.Cc1cccc(Cl)n1.Cc1cccc(NN)n1.NN.O.[Li+].[OH-]
• InChI: InChI=1S/C13H15N3O2.C11H11N3O2.C8H13NO4.C6H6ClN.C6H9N3.Li.H4N2.2H2O/c1-4-18-13(17)11-8-10(3)15-16(11)12-7-5-6-9(2)14-12;1-7-4-3-5-10(12-7)14-9(11(15)16)6-8(2)13-14;1-4-13-8(11)7(9-12-3)5-6(2)10;1-5-3-2-4-6(7)8-5;1-5-3-2-4-6(8-5)9-7;;1-2;;/h5-8H,4H2,1-3H3;3-6H,1-2H3,(H,15,16);4-5H2,1-3H3;2-4H,1H3;2-4H,7H2,1H3,(H,8,9);;1-2H2;2*1H2/q;;;;;+1;;;/p-1
• InChIKey: QNZGROZTTFJTAA-UHFFFAOYSA-M
• XLogP: 1.71
• TPSA: 367.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.45
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate?

The IUPAC name of lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate (CID 164994993) is lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate.

What is the SMILES notation for lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate?

The canonical SMILES for lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate is CCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1cccc(C)n1.Cc1cccc(-n2nc(C)cc2C(=O)O)n1.Cc1cccc(Cl)n1.Cc1cccc(NN)n1.NN.O.[Li+].[OH-].

What is the InChIKey of lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate?

The InChIKey is QNZGROZTTFJTAA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H15N3O2.C11H11N3O2.C8H13NO4.C6H6ClN.C6H9N3.Li.H4N2.2H2O/c1-4-18-13(17)11-8-10(3)15-16(11)12-7-5-6-9(2)14-12;1-7-4-3-5-10(12-7)14-9(11(15)16)6-8(2)13-14;1-4-13-8(11)7(9-12-3)5-6(2)10;1-5-3-2-4-6(7)8-5;1-5-3-2-4-6(8-5)9-7;;1-2;;/h5-8H,4H2,1-3H3;3-6H,1-2H3,(H,15,16);4-5H2,1-3H3;2-4H,1H3;2-4H,7H2,1H3,(H,8,9);;1-2H2;2*1H2/q;;;;;+1;;;/p-1.

What are the key properties of lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate?

lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate has a molecular weight of 974.45 g/mol, XLogP of 1.71, 11 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate is sourced from PubChem (CID 164994993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).