dibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid

C92H114B11N11O19 — CID 159239577

IUPACdibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid
SMILESCCCCOB(OCCCC)c1ccncc1.CCCOB(OCCC)c1ccncc1.CCOB(OCC)c1ccncc1.COB(OC)c1ccncc1.OB(O)c1ccncc1.c1cc(B2OB(c3ccncc3)OB(c3ccncc3)O2)ccn1.c1cc(B2OCCCO2)ccn1.c1cc(B2OCCO2)ccn1.c1ccc(OB(Oc2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C17H14BNO2.C15H12B3N3O3.C13H22BNO2.C11H18BNO2.C9H14BNO2.C8H10BNO2.C7H8BNO2.C7H10BNO2.C5H6BNO2/c1-3-7-16(8-4-1)20-18(15-11-13-19-14-12-15)21-17-9-5-2-6-10-17;1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15;1-3-5-11-16-14(17-12-6-4-2)13-7-9-15-10-8-13;1-3-9-14-12(15-10-4-2)11-5-7-13-8-6-11;1-3-12-10(13-4-2)9-5-7-11-8-6-9;1-6-11-9(12-7-1)8-2-4-10-5-3-8;1-3-9-4-2-7(1)8-10-5-6-11-8;1-10-8(11-2)7-3-5-9-6-4-7;8-6(9)5-1-3-7-4-2-5/h1-14H;1-12H;7-10H,3-6,11-12H2,1-2H3;5-8H,3-4,9-10H2,1-2H3;5-8H,3-4H2,1-2H3;2-5H,1,6-7H2;1-4H,5-6H2;3-6H,1-2H3;1-4,8-9H
InChIKeyKTXFVBLJACQXIG-UHFFFAOYSA-N
MW1796.91 g/mol
LogP6.11
Rot. Bonds35

About dibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid

dibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid (PubChem CID 159239577) has the molecular formula C92H114B11N11O19 and a molecular weight of 1796.91 g/mol. Its IUPAC name is dibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid.

Molecular Properties

Compound Namedibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid
PubChem CID159239577
Molecular FormulaC92H114B11N11O19
Molecular Weight1796.91 g/mol
Exact Mass1797.93
IUPAC Namedibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid
SMILESCCCCOB(OCCCC)c1ccncc1.CCCOB(OCCC)c1ccncc1.CCOB(OCC)c1ccncc1.COB(OC)c1ccncc1.OB(O)c1ccncc1.c1cc(B2OB(c3ccncc3)OB(c3ccncc3)O2)ccn1.c1cc(B2OCCCO2)ccn1.c1cc(B2OCCO2)ccn1.c1ccc(OB(Oc2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C17H14BNO2.C15H12B3N3O3.C13H22BNO2.C11H18BNO2.C9H14BNO2.C8H10BNO2.C7H8BNO2.C7H10BNO2.C5H6BNO2/c1-3-7-16(8-4-1)20-18(15-11-13-19-14-12-15)21-17-9-5-2-6-10-17;1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15;1-3-5-11-16-14(17-12-6-4-2)13-7-9-15-10-8-13;1-3-9-14-12(15-10-4-2)11-5-7-13-8-6-11;1-3-12-10(13-4-2)9-5-7-11-8-6-9;1-6-11-9(12-7-1)8-2-4-10-5-3-8;1-3-9-4-2-7(1)8-10-5-6-11-8;1-10-8(11-2)7-3-5-9-6-4-7;8-6(9)5-1-3-7-4-2-5/h1-14H;1-12H;7-10H,3-6,11-12H2,1-2H3;5-8H,3-4,9-10H2,1-2H3;5-8H,3-4H2,1-2H3;2-5H,1,6-7H2;1-4H,5-6H2;3-6H,1-2H3;1-4,8-9H
InChIKeyKTXFVBLJACQXIG-UHFFFAOYSA-N
XLogP6.11
TPSA339.16 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds35
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001796.91
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid with MolForge

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Related Compounds

Bis(4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)-2,9,11,18-tetraoxa-1,10-diboranuidatetracyclo[8.8.0.03,8.012,17]octadeca-3,5,7,12,14,16-hexaen-1-yl]pyridin-1-ium);oxolane
CID 139166068
Dibutoxy(quinolin-3-yl)borane;diethoxy(quinolin-3-yl)borane;dimethoxy(quinolin-3-yl)borane;3-(1,3,2-dioxaborinan-2-yl)quinoline;3-(1,3,2-dioxaborolan-2-yl)quinoline;diphenoxy(quinolin-3-yl)borane;dipropoxy(quinolin-3-yl)borane;3-[4,6-di(quinolin-3-yl)-1,3,5,2,4,6-trioxatriborinan-2-yl]quinoline;quinolin-3-ylboronic acid
CID 160224046
Tetrakis(dipyridin-2-yloxyborinate);ruthenium(4+)
CID 173635285

Frequently Asked Questions

What is the IUPAC name of dibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid?
The IUPAC name of dibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid (CID 159239577) is dibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid.
What is the SMILES notation for dibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid?
The canonical SMILES for dibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid is CCCCOB(OCCCC)c1ccncc1.CCCOB(OCCC)c1ccncc1.CCOB(OCC)c1ccncc1.COB(OC)c1ccncc1.OB(O)c1ccncc1.c1cc(B2OB(c3ccncc3)OB(c3ccncc3)O2)ccn1.c1cc(B2OCCCO2)ccn1.c1cc(B2OCCO2)ccn1.c1ccc(OB(Oc2ccccc2)c2ccncc2)cc1.
What is the InChIKey of dibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid?
The InChIKey is KTXFVBLJACQXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BNO2.C15H12B3N3O3.C13H22BNO2.C11H18BNO2.C9H14BNO2.C8H10BNO2.C7H8BNO2.C7H10BNO2.C5H6BNO2/c1-3-7-16(8-4-1)20-18(15-11-13-19-14-12-15)21-17-9-5-2-6-10-17;1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15;1-3-5-11-16-14(17-12-6-4-2)13-7-9-15-10-8-13;1-3-9-14-12(15-10-4-2)11-5-7-13-8-6-11;1-3-12-10(13-4-2)9-5-7-11-8-6-9;1-6-11-9(12-7-1)8-2-4-10-5-3-8;1-3-9-4-2-7(1)8-10-5-6-11-8;1-10-8(11-2)7-3-5-9-6-4-7;8-6(9)5-1-3-7-4-2-5/h1-14H;1-12H;7-10H,3-6,11-12H2,1-2H3;5-8H,3-4,9-10H2,1-2H3;5-8H,3-4H2,1-2H3;2-5H,1,6-7H2;1-4H,5-6H2;3-6H,1-2H3;1-4,8-9H.
What are the key properties of dibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid?
dibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid has a molecular weight of 1796.91 g/mol, XLogP of 6.11, 35 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy(pyridin-4-yl)borane;diethoxy(pyridin-4-yl)borane;dimethoxy(pyridin-4-yl)borane;4-(1,3,2-dioxaborinan-2-yl)pyridine;4-(1,3,2-dioxaborolan-2-yl)pyridine;diphenoxy(pyridin-4-yl)borane;dipropoxy(pyridin-4-yl)borane;4-(4,6-dipyridin-4-yl-1,3,5,2,4,6-trioxatriborinan-2-yl)pyridine;pyridin-4-ylboronic acid is sourced from PubChem (CID 159239577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).