2-(6-chloro-5-methyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]ethanone;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol

C60H62BClF4N2O10 — CID 162014395

About 2-(6-chloro-5-methyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]ethanone;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol

2-(6-chloro-5-methyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]ethanone;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol (PubChem CID 162014395) has the molecular formula C60H62BClF4N2O10 and a molecular weight of 1093.42 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]ethanone;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-(6-chloro-5-methyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]ethanone;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol
• PubChem CID: 162014395
• Molecular Formula: C60H62BClF4N2O10
• Molecular Weight: 1093.42 g/mol
• Exact Mass: 1092.41
• IUPAC Name: 2-(6-chloro-5-methyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]ethanone;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol
• SMILES: CC(C)(O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(C(C)(C)O)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl
• InChI: InChI=1S/C27H25F2NO4.C18H14ClF2NO3.C15H23BO3/c1-16-4-10-20(30-24(16)17-5-7-18(8-6-17)25(2,3)32)15-23(31)26(12-13-26)19-9-11-21-22(14-19)34-27(28,29)33-21;1-10-2-4-12(22-16(10)19)9-15(23)17(6-7-17)11-3-5-13-14(8-11)25-18(20,21)24-13;1-13(2,17)11-7-9-12(10-8-11)16-18-14(3,4)15(5,6)19-16/h4-11,14,32H,12-13,15H2,1-3H3;2-5,8H,6-7,9H2,1H3;7-10,17H,1-6H3
• InChIKey: YTXGBPZIFOBOHF-UHFFFAOYSA-N
• XLogP: 11.87
• TPSA: 155.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1093.42
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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 2-(6-chloro-5-methyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]ethanone;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol?

The IUPAC name of 2-(6-chloro-5-methyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]ethanone;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol (CID 162014395) is 2-(6-chloro-5-methyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]ethanone;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol.

What is the SMILES notation for 2-(6-chloro-5-methyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]ethanone;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol?

The canonical SMILES for 2-(6-chloro-5-methyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]ethanone;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol is CC(C)(O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(C(C)(C)O)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl.

What is the InChIKey of 2-(6-chloro-5-methyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]ethanone;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol?

The InChIKey is YTXGBPZIFOBOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2NO4.C18H14ClF2NO3.C15H23BO3/c1-16-4-10-20(30-24(16)17-5-7-18(8-6-17)25(2,3)32)15-23(31)26(12-13-26)19-9-11-21-22(14-19)34-27(28,29)33-21;1-10-2-4-12(22-16(10)19)9-15(23)17(6-7-17)11-3-5-13-14(8-11)25-18(20,21)24-13;1-13(2,17)11-7-9-12(10-8-11)16-18-14(3,4)15(5,6)19-16/h4-11,14,32H,12-13,15H2,1-3H3;2-5,8H,6-7,9H2,1H3;7-10,17H,1-6H3.

What are the key properties of 2-(6-chloro-5-methyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]ethanone;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol?

2-(6-chloro-5-methyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]ethanone;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol has a molecular weight of 1093.42 g/mol, XLogP of 11.87, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-5-methyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]ethanone;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 162014395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).