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

C147H138B9Cl3F9N9O27 — CID 159441135

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-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-4-(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-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 159441135) has the molecular formula C147H138B9Cl3F9N9O27 and a molecular weight of 2837.41 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-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-4-(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-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone
• PubChem CID: 159441135
• Molecular Formula: C147H138B9Cl3F9N9O27
• Molecular Weight: 2837.41 g/mol
• Exact Mass: 2835.95
• 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-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-4-(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)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)cc1C(F)(F)F.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OCC3)cc1Cl.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OCC3)cc1F
• InChI: InChI=1S/2C17H15BF3NO3.C17H18BNO3.3C16H15BClNO3.3C16H15BFNO3/c1-10-9-22-15(8-13(10)17(19,20)21)16(23)7-11-2-3-12-4-5-25-18(24)14(12)6-11;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/h2-3,6,8-9,24H,4-5,7H2,1H3;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: LSEOWQSPCSMUSW-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 534.78 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2837.41
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

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-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-4-(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-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone (CID 159441135) 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-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-4-(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-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-4-(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-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-4-(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)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)cc1C(F)(F)F.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-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone?

The InChIKey is LSEOWQSPCSMUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H15BF3NO3.C17H18BNO3.3C16H15BClNO3.3C16H15BFNO3/c1-10-9-22-15(8-13(10)17(19,20)21)16(23)7-11-2-3-12-4-5-25-18(24)14(12)6-11;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/h2-3,6,8-9,24H,4-5,7H2,1H3;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-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-4-(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-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 2837.41 g/mol, XLogP of 14.40, 27 rotatable bonds, 9 hydrogen bond donors, and 36 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-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 159441135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).