4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C36H58B3BrN4O8 — CID 158231462

IUPAC4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccc(N2CCOCC2)nc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(N3CCOCC3)nc2)OC1(C)C
InChIInChI=1S/C15H23BN2O3.C12H24B2O4.C9H11BrN2O/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(17-11-12)18-7-9-19-10-8-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h5-6,11H,7-10H2,1-4H3;1-8H3;1-2,7H,3-6H2
InChIKeyGEKVJCHSTMQMKX-UHFFFAOYSA-N
MW787.22 g/mol
LogP5.15
Rot. Bonds4

About 4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158231462) has the molecular formula C36H58B3BrN4O8 and a molecular weight of 787.22 g/mol. Its IUPAC name is 4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID158231462
Molecular FormulaC36H58B3BrN4O8
Molecular Weight787.22 g/mol
Exact Mass786.37
IUPAC Name4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccc(N2CCOCC2)nc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(N3CCOCC3)nc2)OC1(C)C
InChIInChI=1S/C15H23BN2O3.C12H24B2O4.C9H11BrN2O/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(17-11-12)18-7-9-19-10-8-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h5-6,11H,7-10H2,1-4H3;1-8H3;1-2,7H,3-6H2
InChIKeyGEKVJCHSTMQMKX-UHFFFAOYSA-N
XLogP5.15
TPSA106.10 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500787.22
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

4-(5-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)morpholine
CID 170854727
4-Bromopyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157179524
3-Bromo-5-morpholin-4-ylpyridin-2-amine;5-morpholin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 157180624
Tert-butyl 4-(5-bromo-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157565272
5-Bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157914055
4-bromo-N,N-dimethylpyridin-2-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158717420
CID 158929976
CID 158929976
CID 158979172
CID 158979172
Tert-butyl 4-(5-bromo-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 159138615
CID 159419013
CID 159419013
1-(5-Bromo-2-pyridinyl)piperidin-4-ol;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol
CID 159465360
CID 159934355
CID 159934355

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158231462) is 4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(N2CCOCC2)nc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(N3CCOCC3)nc2)OC1(C)C.
What is the InChIKey of 4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is GEKVJCHSTMQMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BN2O3.C12H24B2O4.C9H11BrN2O/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(17-11-12)18-7-9-19-10-8-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h5-6,11H,7-10H2,1-4H3;1-8H3;1-2,7H,3-6H2.
What are the key properties of 4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 787.22 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158231462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).