1-(2-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(2-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]ethanone

C148H140B9Cl3F9N9O26 — CID 159996031

About 1-(2-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(2-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]ethanone

1-(2-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(2-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 159996031) has the molecular formula C148H140B9Cl3F9N9O26 and a molecular weight of 2835.43 g/mol. Its IUPAC name is 1-(2-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(2-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-(2-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(2-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]ethanone
• PubChem CID: 159996031
• Molecular Formula: C148H140B9Cl3F9N9O26
• Molecular Weight: 2835.43 g/mol
• Exact Mass: 2833.97
• IUPAC Name: 1-(2-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(2-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]ethanone
• SMILES: Cc1cc(C(=O)Cc2ccc3c(c2)B(O)OCC3)cnc1C.Cc1cc(C(F)(F)F)c(C(=O)Cc2ccc3c(c2)B(O)OCC3)cn1.Cc1cc(Cl)c(C(=O)Cc2ccc3c(c2)B(O)OCC3)cn1.Cc1cc(F)c(C(=O)Cc2ccc3c(c2)B(O)OCC3)cn1.Cc1ccc(C(=O)Cc2ccc3c(c2)B(O)CCC3)c(C(F)(F)F)n1.Cc1ccc(C(=O)Cc2ccc3c(c2)B(O)OCC3)c(Cl)n1.Cc1ccc(C(=O)Cc2ccc3c(c2)B(O)OCC3)c(F)n1.Cc1ncc(C(=O)Cc2ccc3c(c2)B(O)OCC3)cc1Cl.Cc1ncc(C(=O)Cc2ccc3c(c2)B(O)OCC3)cc1F
• InChI: InChI=1S/C18H17BF3NO2.C17H15BF3NO3.C17H18BNO3.3C16H15BClNO3.3C16H15BFNO3/c1-11-4-7-14(17(23-11)18(20,21)22)16(24)10-12-5-6-13-3-2-8-19(25)15(13)9-12;1-10-6-14(17(19,20)21)13(9-22-10)16(23)8-11-2-3-12-4-5-25-18(24)15(12)7-11;1-11-7-15(10-19-12(11)2)17(20)9-13-3-4-14-5-6-22-18(21)16(14)8-13;1-10-2-5-13(16(18)19-10)15(20)9-11-3-4-12-6-7-22-17(21)14(12)8-11;1-10-15(18)8-13(9-19-10)16(20)7-11-2-3-12-4-5-22-17(21)14(12)6-11;1-10-6-15(18)13(9-19-10)16(20)8-11-2-3-12-4-5-22-17(21)14(12)7-11;1-10-2-5-13(16(18)19-10)15(20)9-11-3-4-12-6-7-22-17(21)14(12)8-11;1-10-15(18)8-13(9-19-10)16(20)7-11-2-3-12-4-5-22-17(21)14(12)6-11;1-10-6-15(18)13(9-19-10)16(20)8-11-2-3-12-4-5-22-17(21)14(12)7-11/h4-7,9,25H,2-3,8,10H2,1H3;2-3,6-7,9,24H,4-5,8H2,1H3;3-4,7-8,10,21H,5-6,9H2,1-2H3;2-5,8,21H,6-7,9H2,1H3;2-3,6,8-9,21H,4-5,7H2,1H3;2-3,6-7,9,21H,4-5,8H2,1H3;2-5,8,21H,6-7,9H2,1H3;2-3,6,8-9,21H,4-5,7H2,1H3;2-3,6-7,9,21H,4-5,8H2,1H3
• InChIKey: OHNYSOVRYOFMLE-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 525.55 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2835.43
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

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 1-(2-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(2-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]ethanone?

The IUPAC name of 1-(2-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(2-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]ethanone (CID 159996031) is 1-(2-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(2-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]ethanone.

What is the SMILES notation for 1-(2-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(2-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]ethanone?

The canonical SMILES for 1-(2-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(2-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]ethanone is Cc1cc(C(=O)Cc2ccc3c(c2)B(O)OCC3)cnc1C.Cc1cc(C(F)(F)F)c(C(=O)Cc2ccc3c(c2)B(O)OCC3)cn1.Cc1cc(Cl)c(C(=O)Cc2ccc3c(c2)B(O)OCC3)cn1.Cc1cc(F)c(C(=O)Cc2ccc3c(c2)B(O)OCC3)cn1.Cc1ccc(C(=O)Cc2ccc3c(c2)B(O)CCC3)c(C(F)(F)F)n1.Cc1ccc(C(=O)Cc2ccc3c(c2)B(O)OCC3)c(Cl)n1.Cc1ccc(C(=O)Cc2ccc3c(c2)B(O)OCC3)c(F)n1.Cc1ncc(C(=O)Cc2ccc3c(c2)B(O)OCC3)cc1Cl.Cc1ncc(C(=O)Cc2ccc3c(c2)B(O)OCC3)cc1F.

What is the InChIKey of 1-(2-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(2-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]ethanone?

The InChIKey is OHNYSOVRYOFMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BF3NO2.C17H15BF3NO3.C17H18BNO3.3C16H15BClNO3.3C16H15BFNO3/c1-11-4-7-14(17(23-11)18(20,21)22)16(24)10-12-5-6-13-3-2-8-19(25)15(13)9-12;1-10-6-14(17(19,20)21)13(9-22-10)16(23)8-11-2-3-12-4-5-25-18(24)15(12)7-11;1-11-7-15(10-19-12(11)2)17(20)9-13-3-4-14-5-6-22-18(21)16(14)8-13;1-10-2-5-13(16(18)19-10)15(20)9-11-3-4-12-6-7-22-17(21)14(12)8-11;1-10-15(18)8-13(9-19-10)16(20)7-11-2-3-12-4-5-22-17(21)14(12)6-11;1-10-6-15(18)13(9-19-10)16(20)8-11-2-3-12-4-5-22-17(21)14(12)7-11;1-10-2-5-13(16(18)19-10)15(20)9-11-3-4-12-6-7-22-17(21)14(12)8-11;1-10-15(18)8-13(9-19-10)16(20)7-11-2-3-12-4-5-22-17(21)14(12)6-11;1-10-6-15(18)13(9-19-10)16(20)8-11-2-3-12-4-5-22-17(21)14(12)7-11/h4-7,9,25H,2-3,8,10H2,1H3;2-3,6-7,9,24H,4-5,8H2,1H3;3-4,7-8,10,21H,5-6,9H2,1-2H3;2-5,8,21H,6-7,9H2,1H3;2-3,6,8-9,21H,4-5,7H2,1H3;2-3,6-7,9,21H,4-5,8H2,1H3;2-5,8,21H,6-7,9H2,1H3;2-3,6,8-9,21H,4-5,7H2,1H3;2-3,6-7,9,21H,4-5,8H2,1H3.

What are the key properties of 1-(2-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(2-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]ethanone?

1-(2-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(2-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 2835.43 g/mol, XLogP of 15.28, 27 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-chloro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(2-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5-fluoro-6-methyl-3-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 159996031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).