4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine

C16H23BrN2O4 — CID 118938869

IUPAC4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine
SMILESBrc1cnc(OCCOC2CCCCO2)c(N2CCOCC2)c1
InChIInChI=1S/C16H23BrN2O4/c17-13-11-14(19-4-7-20-8-5-19)16(18-12-13)23-10-9-22-15-3-1-2-6-21-15/h11-12,15H,1-10H2
InChIKeyZEXWOCXCMQVCRJ-UHFFFAOYSA-N
MW387.27 g/mol
LogP2.60
Rot. Bonds6

About 4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine

4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine (PubChem CID 118938869) has the molecular formula C16H23BrN2O4 and a molecular weight of 387.27 g/mol. Its IUPAC name is 4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine
PubChem CID118938869
Molecular FormulaC16H23BrN2O4
Molecular Weight387.27 g/mol
Exact Mass386.08
IUPAC Name4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine
SMILESBrc1cnc(OCCOC2CCCCO2)c(N2CCOCC2)c1
InChIInChI=1S/C16H23BrN2O4/c17-13-11-14(19-4-7-20-8-5-19)16(18-12-13)23-10-9-22-15-3-1-2-6-21-15/h11-12,15H,1-10H2
InChIKeyZEXWOCXCMQVCRJ-UHFFFAOYSA-N
XLogP2.60
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine?
The IUPAC name of 4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine (CID 118938869) is 4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine?
The canonical SMILES for 4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine is Brc1cnc(OCCOC2CCCCO2)c(N2CCOCC2)c1.
What is the InChIKey of 4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine?
The InChIKey is ZEXWOCXCMQVCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O4/c17-13-11-14(19-4-7-20-8-5-19)16(18-12-13)23-10-9-22-15-3-1-2-6-21-15/h11-12,15H,1-10H2.
What are the key properties of 4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine?
4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine has a molecular weight of 387.27 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine is sourced from PubChem (CID 118938869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).