2-bromoethanol;bis(7-bromo-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);2-bromo-6-methylpyridin-3-ol;bis(2-[(2-bromo-6-methyl-3-pyridinyl)oxy]ethanol);6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine;6-methylpyridin-3-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C78H93BBr6N12O17 — CID 157050104

About 2-bromoethanol;bis(7-bromo-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);2-bromo-6-methylpyridin-3-ol;bis(2-[(2-bromo-6-methyl-3-pyridinyl)oxy]ethanol);6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine;6-methylpyridin-3-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

2-bromoethanol;bis(7-bromo-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);2-bromo-6-methylpyridin-3-ol;bis(2-[(2-bromo-6-methyl-3-pyridinyl)oxy]ethanol);6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine;6-methylpyridin-3-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 157050104) has the molecular formula C78H93BBr6N12O17 and a molecular weight of 1960.90 g/mol. Its IUPAC name is 2-bromoethanol;bis(7-bromo-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);2-bromo-6-methylpyridin-3-ol;bis(2-[(2-bromo-6-methyl-3-pyridinyl)oxy]ethanol);6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine;6-methylpyridin-3-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 2-bromoethanol;bis(7-bromo-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);2-bromo-6-methylpyridin-3-ol;bis(2-[(2-bromo-6-methyl-3-pyridinyl)oxy]ethanol);6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine;6-methylpyridin-3-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 157050104
• Molecular Formula: C78H93BBr6N12O17
• Molecular Weight: 1960.90 g/mol
• Exact Mass: 1954.20
• IUPAC Name: 2-bromoethanol;bis(7-bromo-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);2-bromo-6-methylpyridin-3-ol;bis(2-[(2-bromo-6-methyl-3-pyridinyl)oxy]ethanol);6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine;6-methylpyridin-3-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Cc1ccc(O)c(Br)n1.Cc1ccc(O)cn1.Cc1ccc(OCCO)c(Br)n1.Cc1ccc(OCCO)c(Br)n1.Cc1ccc2c(n1)OCCO2.Cc1nc2c(cc1-c1ccc(N)nc1)OCCO2.Cc1nc2c(cc1Br)OCCO2.Cc1nc2c(cc1Br)OCCO2.OCCBr
• InChI: InChI=1S/C13H13N3O2.C11H17BN2O2.2C8H8BrNO2.2C8H10BrNO2.C8H9NO2.C6H6BrNO.C6H7NO.C2H5BrO/c1-8-10(9-2-3-12(14)15-7-9)6-11-13(16-8)18-5-4-17-11;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;2*1-5-6(9)4-7-8(10-5)12-3-2-11-7;2*1-6-2-3-7(8(9)10-6)12-5-4-11;1-6-2-3-7-8(9-6)11-5-4-10-7;1-4-2-3-5(9)6(7)8-4;1-5-2-3-6(8)4-7-5;3-1-2-4/h2-3,6-7H,4-5H2,1H3,(H2,14,15);5-7H,1-4H3,(H2,13,14);2*4H,2-3H2,1H3;2*2-3,11H,4-5H2,1H3;2-3H,4-5H2,1H3;2-3,9H,1H3;2-4,8H,1H3;4H,1-2H2
• InChIKey: AACFGIHFURTSCJ-UHFFFAOYSA-N
• XLogP: 14.15
• TPSA: 392.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 9
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1960.90
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromoethanol;bis(7-bromo-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);2-bromo-6-methylpyridin-3-ol;bis(2-[(2-bromo-6-methyl-3-pyridinyl)oxy]ethanol);6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine;6-methylpyridin-3-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of 2-bromoethanol;bis(7-bromo-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);2-bromo-6-methylpyridin-3-ol;bis(2-[(2-bromo-6-methyl-3-pyridinyl)oxy]ethanol);6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine;6-methylpyridin-3-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 157050104) is 2-bromoethanol;bis(7-bromo-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);2-bromo-6-methylpyridin-3-ol;bis(2-[(2-bromo-6-methyl-3-pyridinyl)oxy]ethanol);6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine;6-methylpyridin-3-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for 2-bromoethanol;bis(7-bromo-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);2-bromo-6-methylpyridin-3-ol;bis(2-[(2-bromo-6-methyl-3-pyridinyl)oxy]ethanol);6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine;6-methylpyridin-3-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for 2-bromoethanol;bis(7-bromo-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);2-bromo-6-methylpyridin-3-ol;bis(2-[(2-bromo-6-methyl-3-pyridinyl)oxy]ethanol);6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine;6-methylpyridin-3-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Cc1ccc(O)c(Br)n1.Cc1ccc(O)cn1.Cc1ccc(OCCO)c(Br)n1.Cc1ccc(OCCO)c(Br)n1.Cc1ccc2c(n1)OCCO2.Cc1nc2c(cc1-c1ccc(N)nc1)OCCO2.Cc1nc2c(cc1Br)OCCO2.Cc1nc2c(cc1Br)OCCO2.OCCBr.

What is the InChIKey of 2-bromoethanol;bis(7-bromo-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);2-bromo-6-methylpyridin-3-ol;bis(2-[(2-bromo-6-methyl-3-pyridinyl)oxy]ethanol);6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine;6-methylpyridin-3-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is AACFGIHFURTSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2.C11H17BN2O2.2C8H8BrNO2.2C8H10BrNO2.C8H9NO2.C6H6BrNO.C6H7NO.C2H5BrO/c1-8-10(9-2-3-12(14)15-7-9)6-11-13(16-8)18-5-4-17-11;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;2*1-5-6(9)4-7-8(10-5)12-3-2-11-7;2*1-6-2-3-7(8(9)10-6)12-5-4-11;1-6-2-3-7-8(9-6)11-5-4-10-7;1-4-2-3-5(9)6(7)8-4;1-5-2-3-6(8)4-7-5;3-1-2-4/h2-3,6-7H,4-5H2,1H3,(H2,14,15);5-7H,1-4H3,(H2,13,14);2*4H,2-3H2,1H3;2*2-3,11H,4-5H2,1H3;2-3H,4-5H2,1H3;2-3,9H,1H3;2-4,8H,1H3;4H,1-2H2.

What are the key properties of 2-bromoethanol;bis(7-bromo-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);2-bromo-6-methylpyridin-3-ol;bis(2-[(2-bromo-6-methyl-3-pyridinyl)oxy]ethanol);6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine;6-methylpyridin-3-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

2-bromoethanol;bis(7-bromo-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);2-bromo-6-methylpyridin-3-ol;bis(2-[(2-bromo-6-methyl-3-pyridinyl)oxy]ethanol);6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine;6-methylpyridin-3-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1960.90 g/mol, XLogP of 14.15, 9 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromoethanol;bis(7-bromo-6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);2-bromo-6-methylpyridin-3-ol;bis(2-[(2-bromo-6-methyl-3-pyridinyl)oxy]ethanol);6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)pyridin-2-amine;6-methylpyridin-3-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 157050104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).