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-(2-methoxypyrimidin-5-yl)-5-methyl-2-pyridinyl]ethanone;5-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-1H-pyrimidin-2-one;iodo(trimethyl)silane;(2-methoxypyrimidin-5-yl)boronic acid

C71H66BClF6IN9O14Si — CID 158031285

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-(2-methoxypyrimidin-5-yl)-5-methyl-2-pyridinyl]ethanone;5-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-1H-pyrimidin-2-one;iodo(trimethyl)silane;(2-methoxypyrimidin-5-yl)boronic acid

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-(2-methoxypyrimidin-5-yl)-5-methyl-2-pyridinyl]ethanone;5-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-1H-pyrimidin-2-one;iodo(trimethyl)silane;(2-methoxypyrimidin-5-yl)boronic acid (PubChem CID 158031285) has the molecular formula C71H66BClF6IN9O14Si and a molecular weight of 1584.60 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-(2-methoxypyrimidin-5-yl)-5-methyl-2-pyridinyl]ethanone;5-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-1H-pyrimidin-2-one;iodo(trimethyl)silane;(2-methoxypyrimidin-5-yl)boronic acid.

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-(2-methoxypyrimidin-5-yl)-5-methyl-2-pyridinyl]ethanone;5-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-1H-pyrimidin-2-one;iodo(trimethyl)silane;(2-methoxypyrimidin-5-yl)boronic acid
• PubChem CID: 158031285
• Molecular Formula: C71H66BClF6IN9O14Si
• Molecular Weight: 1584.60 g/mol
• Exact Mass: 1583.32
• 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-(2-methoxypyrimidin-5-yl)-5-methyl-2-pyridinyl]ethanone;5-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-1H-pyrimidin-2-one;iodo(trimethyl)silane;(2-methoxypyrimidin-5-yl)boronic acid
• SMILES: COc1ncc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cn1.COc1ncc(B(O)O)cn1.C[Si](C)(C)I.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cnc(=O)[nH]c1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl
• InChI: InChI=1S/C23H19F2N3O4.C22H17F2N3O4.C18H14ClF2NO3.C5H7BN2O3.C3H9ISi/c1-13-3-5-16(28-20(13)14-11-26-21(30-2)27-12-14)10-19(29)22(7-8-22)15-4-6-17-18(9-15)32-23(24,25)31-17;1-12-2-4-15(27-19(12)13-10-25-20(29)26-11-13)9-18(28)21(6-7-21)14-3-5-16-17(8-14)31-22(23,24)30-16;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;1-11-5-7-2-4(3-8-5)6(9)10;1-5(2,3)4/h3-6,9,11-12H,7-8,10H2,1-2H3;2-5,8,10-11H,6-7,9H2,1H3,(H,25,26,29);2-5,8H,6-7,9H2,1H3;2-3,9-10H,1H3;1-3H3
• InChIKey: FHEXSFUJDQXYAU-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 301.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1584.60
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', '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-(2-methoxypyrimidin-5-yl)-5-methyl-2-pyridinyl]ethanone;5-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-1H-pyrimidin-2-one;iodo(trimethyl)silane;(2-methoxypyrimidin-5-yl)boronic acid?

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-(2-methoxypyrimidin-5-yl)-5-methyl-2-pyridinyl]ethanone;5-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-1H-pyrimidin-2-one;iodo(trimethyl)silane;(2-methoxypyrimidin-5-yl)boronic acid (CID 158031285) 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-(2-methoxypyrimidin-5-yl)-5-methyl-2-pyridinyl]ethanone;5-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-1H-pyrimidin-2-one;iodo(trimethyl)silane;(2-methoxypyrimidin-5-yl)boronic acid.

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-(2-methoxypyrimidin-5-yl)-5-methyl-2-pyridinyl]ethanone;5-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-1H-pyrimidin-2-one;iodo(trimethyl)silane;(2-methoxypyrimidin-5-yl)boronic acid?

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-(2-methoxypyrimidin-5-yl)-5-methyl-2-pyridinyl]ethanone;5-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-1H-pyrimidin-2-one;iodo(trimethyl)silane;(2-methoxypyrimidin-5-yl)boronic acid is COc1ncc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cn1.COc1ncc(B(O)O)cn1.C[Si](C)(C)I.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cnc(=O)[nH]c1.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-(2-methoxypyrimidin-5-yl)-5-methyl-2-pyridinyl]ethanone;5-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-1H-pyrimidin-2-one;iodo(trimethyl)silane;(2-methoxypyrimidin-5-yl)boronic acid?

The InChIKey is FHEXSFUJDQXYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O4.C22H17F2N3O4.C18H14ClF2NO3.C5H7BN2O3.C3H9ISi/c1-13-3-5-16(28-20(13)14-11-26-21(30-2)27-12-14)10-19(29)22(7-8-22)15-4-6-17-18(9-15)32-23(24,25)31-17;1-12-2-4-15(27-19(12)13-10-25-20(29)26-11-13)9-18(28)21(6-7-21)14-3-5-16-17(8-14)31-22(23,24)30-16;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;1-11-5-7-2-4(3-8-5)6(9)10;1-5(2,3)4/h3-6,9,11-12H,7-8,10H2,1-2H3;2-5,8,10-11H,6-7,9H2,1H3,(H,25,26,29);2-5,8H,6-7,9H2,1H3;2-3,9-10H,1H3;1-3H3.

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-(2-methoxypyrimidin-5-yl)-5-methyl-2-pyridinyl]ethanone;5-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-1H-pyrimidin-2-one;iodo(trimethyl)silane;(2-methoxypyrimidin-5-yl)boronic acid?

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-(2-methoxypyrimidin-5-yl)-5-methyl-2-pyridinyl]ethanone;5-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-1H-pyrimidin-2-one;iodo(trimethyl)silane;(2-methoxypyrimidin-5-yl)boronic acid has a molecular weight of 1584.60 g/mol, XLogP of 11.96, 17 rotatable bonds, 3 hydrogen bond donors, and 22 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-(2-methoxypyrimidin-5-yl)-5-methyl-2-pyridinyl]ethanone;5-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-1H-pyrimidin-2-one;iodo(trimethyl)silane;(2-methoxypyrimidin-5-yl)boronic acid is sourced from PubChem (CID 158031285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).