lithium;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;methyl 1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;hydroxide;hydrate

C89H85BClF6LiN6O19 — CID 159961040

About lithium;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;methyl 1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;hydroxide;hydrate

lithium;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;methyl 1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;hydroxide;hydrate (PubChem CID 159961040) has the molecular formula C89H85BClF6LiN6O19 and a molecular weight of 1709.88 g/mol. Its IUPAC name is lithium;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;methyl 1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;methyl 1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;hydroxide;hydrate
• PubChem CID: 159961040
• Molecular Formula: C89H85BClF6LiN6O19
• Molecular Weight: 1709.88 g/mol
• Exact Mass: 1708.57
• IUPAC Name: lithium;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;methyl 1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;hydroxide;hydrate
• SMILES: COC(=O)C1(c2cccc(-c3nc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)ccc3C)c2)CC1.COC(=O)C1(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C2(C(=O)O)CC2)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl.O.[Li+].[OH-]
• InChI: InChI=1S/C28H24F2N2O5.C27H22F2N2O5.C17H23BO4.C17H13ClF2N2O3.Li.2H2O/c1-16-6-9-22(31-23(16)17-4-3-5-18(14-17)27(12-13-27)25(34)35-2)32-24(33)26(10-11-26)19-7-8-20-21(15-19)37-28(29,30)36-20;1-15-5-8-21(30-22(15)16-3-2-4-17(13-16)26(11-12-26)24(33)34)31-23(32)25(9-10-25)18-6-7-19-20(14-18)36-27(28,29)35-19;1-15(2)16(3,4)22-18(21-15)13-8-6-7-12(11-13)17(9-10-17)14(19)20-5;1-9-2-5-13(21-14(9)18)22-15(23)16(6-7-16)10-3-4-11-12(8-10)25-17(19,20)24-11;;;/h3-9,14-15H,10-13H2,1-2H3,(H,31,32,33);2-8,13-14H,9-12H2,1H3,(H,33,34)(H,30,31,32);6-8,11H,9-10H2,1-5H3;2-5,8H,6-7H2,1H3,(H,21,22,23);;2*1H2/q;;;;+1;;/p-1
• InChIKey: VPUMSRUZYBZTEC-UHFFFAOYSA-M
• XLogP: 12.65
• TPSA: 351.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1709.88
LogP ≤ 5	12.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;methyl 1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;hydroxide;hydrate?

The IUPAC name of lithium;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;methyl 1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;hydroxide;hydrate (CID 159961040) is lithium;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;methyl 1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;hydroxide;hydrate.

What is the SMILES notation for lithium;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;methyl 1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;hydroxide;hydrate?

The canonical SMILES for lithium;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;methyl 1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;hydroxide;hydrate is COC(=O)C1(c2cccc(-c3nc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)ccc3C)c2)CC1.COC(=O)C1(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C2(C(=O)O)CC2)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl.O.[Li+].[OH-].

What is the InChIKey of lithium;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;methyl 1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;hydroxide;hydrate?

The InChIKey is VPUMSRUZYBZTEC-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H24F2N2O5.C27H22F2N2O5.C17H23BO4.C17H13ClF2N2O3.Li.2H2O/c1-16-6-9-22(31-23(16)17-4-3-5-18(14-17)27(12-13-27)25(34)35-2)32-24(33)26(10-11-26)19-7-8-20-21(15-19)37-28(29,30)36-20;1-15-5-8-21(30-22(15)16-3-2-4-17(13-16)26(11-12-26)24(33)34)31-23(32)25(9-10-25)18-6-7-19-20(14-18)36-27(28,29)35-19;1-15(2)16(3,4)22-18(21-15)13-8-6-7-12(11-13)17(9-10-17)14(19)20-5;1-9-2-5-13(21-14(9)18)22-15(23)16(6-7-16)10-3-4-11-12(8-10)25-17(19,20)24-11;;;/h3-9,14-15H,10-13H2,1-2H3,(H,31,32,33);2-8,13-14H,9-12H2,1H3,(H,33,34)(H,30,31,32);6-8,11H,9-10H2,1-5H3;2-5,8H,6-7H2,1H3,(H,21,22,23);;2*1H2/q;;;;+1;;/p-1.

What are the key properties of lithium;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;methyl 1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;hydroxide;hydrate?

lithium;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;methyl 1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;hydroxide;hydrate has a molecular weight of 1709.88 g/mol, XLogP of 12.65, 18 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;methyl 1-[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;hydroxide;hydrate is sourced from PubChem (CID 159961040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).