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

C44H55ClF6LiN13O10 — CID 162212173

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

lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;hydrazine;(6-methyl-2-pyridinyl)hydrazine;5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide;hydrate (PubChem CID 162212173) has the molecular formula C44H55ClF6LiN13O10 and a molecular weight of 1082.39 g/mol. Its IUPAC name is lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;hydrazine;(6-methyl-2-pyridinyl)hydrazine;5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;hydrazine;(6-methyl-2-pyridinyl)hydrazine;5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide;hydrate
• PubChem CID: 162212173
• Molecular Formula: C44H55ClF6LiN13O10
• Molecular Weight: 1082.39 g/mol
• Exact Mass: 1081.39
• IUPAC Name: lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;hydrazine;(6-methyl-2-pyridinyl)hydrazine;5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide;hydrate
• SMILES: CCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1cccc(C(F)(F)F)n1.Cc1cc(C(=O)O)n(-c2cccc(C(F)(F)F)n2)n1.Cc1cccc(Cl)n1.Cc1cccc(NN)n1.NN.O.[Li+].[OH-]
• InChI: InChI=1S/C13H12F3N3O2.C11H8F3N3O2.C8H13NO4.C6H6ClN.C6H9N3.Li.H4N2.2H2O/c1-3-21-12(20)9-7-8(2)18-19(9)11-6-4-5-10(17-11)13(14,15)16;1-6-5-7(10(18)19)17(16-6)9-4-2-3-8(15-9)11(12,13)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;;/h4-7H,3H2,1-2H3;2-5H,1H3,(H,18,19);4-5H2,1-3H3;2-4H,1H3;2-4H,7H2,1H3,(H,8,9);;1-2H2;2*1H2/q;;;;;+1;;;/p-1
• InChIKey: KZTPQDLOKJAQHF-UHFFFAOYSA-M
• XLogP: 3.14
• TPSA: 367.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1082.39
LogP ≤ 5	3.14
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-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;hydrazine;(6-methyl-2-pyridinyl)hydrazine;5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide;hydrate?

The IUPAC name of lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;hydrazine;(6-methyl-2-pyridinyl)hydrazine;5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide;hydrate (CID 162212173) is lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;hydrazine;(6-methyl-2-pyridinyl)hydrazine;5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide;hydrate.

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

The canonical SMILES for lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;hydrazine;(6-methyl-2-pyridinyl)hydrazine;5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide;hydrate is CCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1cccc(C(F)(F)F)n1.Cc1cc(C(=O)O)n(-c2cccc(C(F)(F)F)n2)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-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;hydrazine;(6-methyl-2-pyridinyl)hydrazine;5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide;hydrate?

The InChIKey is KZTPQDLOKJAQHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12F3N3O2.C11H8F3N3O2.C8H13NO4.C6H6ClN.C6H9N3.Li.H4N2.2H2O/c1-3-21-12(20)9-7-8(2)18-19(9)11-6-4-5-10(17-11)13(14,15)16;1-6-5-7(10(18)19)17(16-6)9-4-2-3-8(15-9)11(12,13)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;;/h4-7H,3H2,1-2H3;2-5H,1H3,(H,18,19);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-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;hydrazine;(6-methyl-2-pyridinyl)hydrazine;5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide;hydrate?

lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;hydrazine;(6-methyl-2-pyridinyl)hydrazine;5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide;hydrate has a molecular weight of 1082.39 g/mol, XLogP of 3.14, 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-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;hydrazine;(6-methyl-2-pyridinyl)hydrazine;5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide;hydrate is sourced from PubChem (CID 162212173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).