4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine

C14H14Br3N3O — CID 87886252

IUPAC4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine
SMILESBrc1ccc(Br)nc1.Brc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C9H11BrN2O.C5H3Br2N/c10-8-1-2-9(11-7-8)12-3-5-13-6-4-12;6-4-1-2-5(7)8-3-4/h1-2,7H,3-6H2;1-3H
InChIKeyJUMYLBNXEFWJCU-UHFFFAOYSA-N
MW480.00 g/mol
LogP4.29
Rot. Bonds1

About 4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine

4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine (PubChem CID 87886252) has the molecular formula C14H14Br3N3O and a molecular weight of 480.00 g/mol. Its IUPAC name is 4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine.

Molecular Properties

Compound Name4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine
PubChem CID87886252
Molecular FormulaC14H14Br3N3O
Molecular Weight480.00 g/mol
Exact Mass476.87
IUPAC Name4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine
SMILESBrc1ccc(Br)nc1.Brc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C9H11BrN2O.C5H3Br2N/c10-8-1-2-9(11-7-8)12-3-5-13-6-4-12;6-4-1-2-5(7)8-3-4/h1-2,7H,3-6H2;1-3H
InChIKeyJUMYLBNXEFWJCU-UHFFFAOYSA-N
XLogP4.29
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.00
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine?
The IUPAC name of 4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine (CID 87886252) is 4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine.
What is the SMILES notation for 4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine?
The canonical SMILES for 4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine is Brc1ccc(Br)nc1.Brc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine?
The InChIKey is JUMYLBNXEFWJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O.C5H3Br2N/c10-8-1-2-9(11-7-8)12-3-5-13-6-4-12;6-4-1-2-5(7)8-3-4/h1-2,7H,3-6H2;1-3H.
What are the key properties of 4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine?
4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine has a molecular weight of 480.00 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-pyridinyl)morpholine;2,5-dibromopyridine is sourced from PubChem (CID 87886252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).