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

C24H34BBrN4O4 — CID 162148265

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

4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine (PubChem CID 162148265) has the molecular formula C24H34BBrN4O4 and a molecular weight of 533.28 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.

Molecular Properties

• Compound Name: 4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine
• PubChem CID: 162148265
• Molecular Formula: C24H34BBrN4O4
• Molecular Weight: 533.28 g/mol
• Exact Mass: 532.19
• IUPAC Name: 4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine
• SMILES: Brc1ccc(N2CCOCC2)nc1.CC1(C)OB(c2ccc(N3CCOCC3)nc2)OC1(C)C
• InChI: InChI=1S/C15H23BN2O3.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;10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h5-6,11H,7-10H2,1-4H3;1-2,7H,3-6H2
• InChIKey: ZKVWCEFYABGAIJ-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 69.18 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.28
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

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?

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 (CID 162148265) is 4-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine.

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?

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 is Brc1ccc(N2CCOCC2)nc1.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?

The InChIKey is ZKVWCEFYABGAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BN2O3.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;10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h5-6,11H,7-10H2,1-4H3;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-(5-bromo-2-pyridinyl)morpholine;4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine has a molecular weight of 533.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 8 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 is sourced from PubChem (CID 162148265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).