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

C148H140B9Cl3F9N9O26 — CID 158338532

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

1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-fluoro-5-methyl-2-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-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 158338532) has the molecular formula C148H140B9Cl3F9N9O26 and a molecular weight of 2835.43 g/mol. Its IUPAC name is 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-fluoro-5-methyl-2-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-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-fluoro-5-methyl-2-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-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone
• PubChem CID: 158338532
• Molecular Formula: C148H140B9Cl3F9N9O26
• Molecular Weight: 2835.43 g/mol
• Exact Mass: 2833.97
• IUPAC Name: 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-fluoro-5-methyl-2-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-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone
• SMILES: Cc1ccc(C(=O)Cc2ccc3c(c2)B(O)OCC3)nc1C.Cc1ccc(C(=O)Cc2ccc3c(c2)B(O)OCC3)nc1Cl.Cc1ccc(C(=O)Cc2ccc3c(c2)B(O)OCC3)nc1F.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)CCC3)cc1C(F)(F)F.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OCC3)c(C(F)(F)F)c1.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OCC3)c(Cl)c1.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OCC3)c(F)c1.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OCC3)cc1Cl.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OCC3)cc1F
• InChI: InChI=1S/C18H17BF3NO2.C17H15BF3NO3.C17H18BNO3.3C16H15BClNO3.3C16H15BFNO3/c1-11-10-23-16(9-14(11)18(20,21)22)17(24)8-12-4-5-13-3-2-6-19(25)15(13)7-12;1-10-6-13(17(19,20)21)16(22-9-10)15(23)8-11-2-3-12-4-5-25-18(24)14(12)7-11;1-11-3-6-16(19-12(11)2)17(20)10-13-4-5-14-7-8-22-18(21)15(14)9-13;1-10-2-5-14(19-16(10)18)15(20)9-11-3-4-12-6-7-22-17(21)13(12)8-11;1-10-9-19-15(8-14(10)18)16(20)7-11-2-3-12-4-5-22-17(21)13(12)6-11;1-10-6-14(18)16(19-9-10)15(20)8-11-2-3-12-4-5-22-17(21)13(12)7-11;1-10-2-5-14(19-16(10)18)15(20)9-11-3-4-12-6-7-22-17(21)13(12)8-11;1-10-9-19-15(8-14(10)18)16(20)7-11-2-3-12-4-5-22-17(21)13(12)6-11;1-10-6-14(18)16(19-9-10)15(20)8-11-2-3-12-4-5-22-17(21)13(12)7-11/h4-5,7,9-10,25H,2-3,6,8H2,1H3;2-3,6-7,9,24H,4-5,8H2,1H3;3-6,9,21H,7-8,10H2,1-2H3;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: GQWOLESIJXUXRA-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-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-fluoro-5-methyl-2-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-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone?

The IUPAC name of 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-fluoro-5-methyl-2-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-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone (CID 158338532) is 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-fluoro-5-methyl-2-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-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone.

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

The canonical SMILES for 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-fluoro-5-methyl-2-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-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone is Cc1ccc(C(=O)Cc2ccc3c(c2)B(O)OCC3)nc1C.Cc1ccc(C(=O)Cc2ccc3c(c2)B(O)OCC3)nc1Cl.Cc1ccc(C(=O)Cc2ccc3c(c2)B(O)OCC3)nc1F.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)CCC3)cc1C(F)(F)F.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OCC3)c(C(F)(F)F)c1.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OCC3)c(Cl)c1.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OCC3)c(F)c1.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OCC3)cc1Cl.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OCC3)cc1F.

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

The InChIKey is GQWOLESIJXUXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BF3NO2.C17H15BF3NO3.C17H18BNO3.3C16H15BClNO3.3C16H15BFNO3/c1-11-10-23-16(9-14(11)18(20,21)22)17(24)8-12-4-5-13-3-2-6-19(25)15(13)7-12;1-10-6-13(17(19,20)21)16(22-9-10)15(23)8-11-2-3-12-4-5-25-18(24)14(12)7-11;1-11-3-6-16(19-12(11)2)17(20)10-13-4-5-14-7-8-22-18(21)15(14)9-13;1-10-2-5-14(19-16(10)18)15(20)9-11-3-4-12-6-7-22-17(21)13(12)8-11;1-10-9-19-15(8-14(10)18)16(20)7-11-2-3-12-4-5-22-17(21)13(12)6-11;1-10-6-14(18)16(19-9-10)15(20)8-11-2-3-12-4-5-22-17(21)13(12)7-11;1-10-2-5-14(19-16(10)18)15(20)9-11-3-4-12-6-7-22-17(21)13(12)8-11;1-10-9-19-15(8-14(10)18)16(20)7-11-2-3-12-4-5-22-17(21)13(12)6-11;1-10-6-14(18)16(19-9-10)15(20)8-11-2-3-12-4-5-22-17(21)13(12)7-11/h4-5,7,9-10,25H,2-3,6,8H2,1H3;2-3,6-7,9,24H,4-5,8H2,1H3;3-6,9,21H,7-8,10H2,1-2H3;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-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-fluoro-5-methyl-2-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-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone?

1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-fluoro-5-methyl-2-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-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-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-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-fluoro-5-methyl-2-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-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 158338532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).