sodium;5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid;methane;methanol;methyl 5-bromo-4-methylpyridine-2-carboxylate;methyl 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylate;methyl 4-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxylate;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxolane;hydroxide

C59H77BBrCl2N12NaO13 — CID 159686982

About sodium;5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid;methane;methanol;methyl 5-bromo-4-methylpyridine-2-carboxylate;methyl 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylate;methyl 4-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxylate;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxolane;hydroxide

sodium;5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid;methane;methanol;methyl 5-bromo-4-methylpyridine-2-carboxylate;methyl 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylate;methyl 4-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxylate;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxolane;hydroxide (PubChem CID 159686982) has the molecular formula C59H77BBrCl2N12NaO13 and a molecular weight of 1346.95 g/mol. Its IUPAC name is sodium;5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid;methane;methanol;methyl 5-bromo-4-methylpyridine-2-carboxylate;methyl 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylate;methyl 4-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxylate;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxolane;hydroxide.

Molecular Properties

• Compound Name: sodium;5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid;methane;methanol;methyl 5-bromo-4-methylpyridine-2-carboxylate;methyl 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylate;methyl 4-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxylate;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxolane;hydroxide
• PubChem CID: 159686982
• Molecular Formula: C59H77BBrCl2N12NaO13
• Molecular Weight: 1346.95 g/mol
• Exact Mass: 1344.43
• IUPAC Name: sodium;5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid;methane;methanol;methyl 5-bromo-4-methylpyridine-2-carboxylate;methyl 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylate;methyl 4-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxylate;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxolane;hydroxide
• SMILES: C.C1CCOC1.CO.COC(=O)c1cc(C)c(-c2c(Cl)cnn2C)cn1.COC(=O)c1cc(C)c(-c2ccnn2C)cn1.COC(=O)c1cc(C)c(Br)cn1.Cc1cc(C(=O)O)ncc1-c1c(Cl)cnn1C.Cn1nccc1B1OC(C)(C)C(C)(C)O1.[Na+].[OH-]
• InChI: InChI=1S/C12H12ClN3O2.C12H13N3O2.C11H10ClN3O2.C10H17BN2O2.C8H8BrNO2.C4H8O.CH4O.CH4.Na.H2O/c1-7-4-10(12(17)18-3)14-5-8(7)11-9(13)6-15-16(11)2;1-8-6-10(12(16)17-3)13-7-9(8)11-4-5-14-15(11)2;1-6-3-9(11(16)17)13-4-7(6)10-8(12)5-14-15(10)2;1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5;1-5-3-7(8(11)12-2)10-4-6(5)9;1-2-4-5-3-1;1-2;;;/h4-6H,1-3H3;4-7H,1-3H3;3-5H,1-2H3,(H,16,17);6-7H,1-5H3;3-4H,1-2H3;1-4H2;2H,1H3;1H4;;1H2/q;;;;;;;;+1;/p-1
• InChIKey: MVXPHCCGZCAEEZ-UHFFFAOYSA-M
• XLogP: 6.48
• TPSA: 316.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1346.95
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid;methane;methanol;methyl 5-bromo-4-methylpyridine-2-carboxylate;methyl 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylate;methyl 4-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxylate;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxolane;hydroxide?

The IUPAC name of sodium;5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid;methane;methanol;methyl 5-bromo-4-methylpyridine-2-carboxylate;methyl 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylate;methyl 4-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxylate;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxolane;hydroxide (CID 159686982) is sodium;5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid;methane;methanol;methyl 5-bromo-4-methylpyridine-2-carboxylate;methyl 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylate;methyl 4-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxylate;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxolane;hydroxide.

What is the SMILES notation for sodium;5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid;methane;methanol;methyl 5-bromo-4-methylpyridine-2-carboxylate;methyl 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylate;methyl 4-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxylate;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxolane;hydroxide?

The canonical SMILES for sodium;5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid;methane;methanol;methyl 5-bromo-4-methylpyridine-2-carboxylate;methyl 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylate;methyl 4-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxylate;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxolane;hydroxide is C.C1CCOC1.CO.COC(=O)c1cc(C)c(-c2c(Cl)cnn2C)cn1.COC(=O)c1cc(C)c(-c2ccnn2C)cn1.COC(=O)c1cc(C)c(Br)cn1.Cc1cc(C(=O)O)ncc1-c1c(Cl)cnn1C.Cn1nccc1B1OC(C)(C)C(C)(C)O1.[Na+].[OH-].

What is the InChIKey of sodium;5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid;methane;methanol;methyl 5-bromo-4-methylpyridine-2-carboxylate;methyl 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylate;methyl 4-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxylate;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxolane;hydroxide?

The InChIKey is MVXPHCCGZCAEEZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12ClN3O2.C12H13N3O2.C11H10ClN3O2.C10H17BN2O2.C8H8BrNO2.C4H8O.CH4O.CH4.Na.H2O/c1-7-4-10(12(17)18-3)14-5-8(7)11-9(13)6-15-16(11)2;1-8-6-10(12(16)17-3)13-7-9(8)11-4-5-14-15(11)2;1-6-3-9(11(16)17)13-4-7(6)10-8(12)5-14-15(10)2;1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5;1-5-3-7(8(11)12-2)10-4-6(5)9;1-2-4-5-3-1;1-2;;;/h4-6H,1-3H3;4-7H,1-3H3;3-5H,1-2H3,(H,16,17);6-7H,1-5H3;3-4H,1-2H3;1-4H2;2H,1H3;1H4;;1H2/q;;;;;;;;+1;/p-1.

What are the key properties of sodium;5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid;methane;methanol;methyl 5-bromo-4-methylpyridine-2-carboxylate;methyl 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylate;methyl 4-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxylate;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxolane;hydroxide?

sodium;5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid;methane;methanol;methyl 5-bromo-4-methylpyridine-2-carboxylate;methyl 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylate;methyl 4-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxylate;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxolane;hydroxide has a molecular weight of 1346.95 g/mol, XLogP of 6.48, 8 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid;methane;methanol;methyl 5-bromo-4-methylpyridine-2-carboxylate;methyl 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylate;methyl 4-methyl-5-(2-methylpyrazol-3-yl)pyridine-2-carboxylate;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxolane;hydroxide is sourced from PubChem (CID 159686982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).