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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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

C98H109BBr6ClF2N15O20 — CID 158443359

IUPAC2-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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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
SMILESCC1(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(cc1-c1ccc(N)nc1)OCCO2.Cc1nc2c(cc1Br)OCCO2.Cc1nc2c(cc1Br)OCCO2.O=C(Cl)c1c(F)cccc1F.OCCBr
InChIInChI=1S/2C13H13N3O2.C11H17BN2O2.2C8H8BrNO2.2C8H10BrNO2.C8H9NO2.C7H3ClF2O.C6H6BrNO.C6H7NO.C2H5BrO/c2*1-8-10(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;8-7(11)6-4(9)2-1-3-5(6)10;1-4-2-3-5(9)6(7)8-4;1-5-2-3-6(8)4-7-5;3-1-2-4/h2*2-3,6-7H,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;1-3H;2-3,9H,1H3;2-4,8H,1H3;4H,1-2H2
InChIKeyHDBXMSFPDNZINV-UHFFFAOYSA-N
MW2380.72 g/mol
LogP18.30
Rot. Bonds11

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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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 158443359) has the molecular formula C98H109BBr6ClF2N15O20 and a molecular weight of 2380.72 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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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 Name2-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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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 CID158443359
Molecular FormulaC98H109BBr6ClF2N15O20
Molecular Weight2380.72 g/mol
Exact Mass2373.28
IUPAC Name2-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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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
SMILESCC1(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(cc1-c1ccc(N)nc1)OCCO2.Cc1nc2c(cc1Br)OCCO2.Cc1nc2c(cc1Br)OCCO2.O=C(Cl)c1c(F)cccc1F.OCCBr
InChIInChI=1S/2C13H13N3O2.C11H17BN2O2.2C8H8BrNO2.2C8H10BrNO2.C8H9NO2.C7H3ClF2O.C6H6BrNO.C6H7NO.C2H5BrO/c2*1-8-10(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;8-7(11)6-4(9)2-1-3-5(6)10;1-4-2-3-5(9)6(7)8-4;1-5-2-3-6(8)4-7-5;3-1-2-4/h2*2-3,6-7H,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;1-3H;2-3,9H,1H3;2-4,8H,1H3;4H,1-2H2
InChIKeyHDBXMSFPDNZINV-UHFFFAOYSA-N
XLogP18.30
TPSA480.18 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds11
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002380.72
LogP ≤ 518.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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 with MolForge

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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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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 158443359) 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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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(cc1-c1ccc(N)nc1)OCCO2.Cc1nc2c(cc1Br)OCCO2.Cc1nc2c(cc1Br)OCCO2.O=C(Cl)c1c(F)cccc1F.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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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 HDBXMSFPDNZINV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H13N3O2.C11H17BN2O2.2C8H8BrNO2.2C8H10BrNO2.C8H9NO2.C7H3ClF2O.C6H6BrNO.C6H7NO.C2H5BrO/c2*1-8-10(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;8-7(11)6-4(9)2-1-3-5(6)10;1-4-2-3-5(9)6(7)8-4;1-5-2-3-6(8)4-7-5;3-1-2-4/h2*2-3,6-7H,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;1-3H;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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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 2380.72 g/mol, XLogP of 18.30, 11 rotatable bonds, 8 hydrogen bond donors, and 35 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);2,6-difluorobenzoyl chloride;6-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;bis(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 158443359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).