4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine

C15H17BrN2O — CID 173316520

IUPAC4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine
SMILESBrC1(c2ccccc2N2CCOCC2)C=CC=CN1
InChIInChI=1S/C15H17BrN2O/c16-15(7-3-4-8-17-15)13-5-1-2-6-14(13)18-9-11-19-12-10-18/h1-8,17H,9-12H2
InChIKeyVLDSSDHQHLEUCF-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.74
Rot. Bonds2

About 4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine

4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine (PubChem CID 173316520) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine
PubChem CID173316520
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine
SMILESBrC1(c2ccccc2N2CCOCC2)C=CC=CN1
InChIInChI=1S/C15H17BrN2O/c16-15(7-3-4-8-17-15)13-5-1-2-6-14(13)18-9-11-19-12-10-18/h1-8,17H,9-12H2
InChIKeyVLDSSDHQHLEUCF-UHFFFAOYSA-N
XLogP2.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine?
The IUPAC name of 4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine (CID 173316520) is 4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine.
What is the SMILES notation for 4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine?
The canonical SMILES for 4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine is BrC1(c2ccccc2N2CCOCC2)C=CC=CN1.
What is the InChIKey of 4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine?
The InChIKey is VLDSSDHQHLEUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c16-15(7-3-4-8-17-15)13-5-1-2-6-14(13)18-9-11-19-12-10-18/h1-8,17H,9-12H2.
What are the key properties of 4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine?
4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine has a molecular weight of 321.22 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromo-1H-pyridin-2-yl)phenyl]morpholine is sourced from PubChem (CID 173316520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).