2-(6-bromo-5-methyl-2-pyridinyl)morpholine

C10H13BrN2O — CID 86586429

IUPAC2-(6-bromo-5-methyl-2-pyridinyl)morpholine
SMILESCc1ccc(C2CNCCO2)nc1Br
InChIInChI=1S/C10H13BrN2O/c1-7-2-3-8(13-10(7)11)9-6-12-4-5-14-9/h2-3,9,12H,4-6H2,1H3
InChIKeyYBUXLGSUVSPMCR-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.81
Rot. Bonds1

About 2-(6-bromo-5-methyl-2-pyridinyl)morpholine

2-(6-bromo-5-methyl-2-pyridinyl)morpholine (PubChem CID 86586429) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-(6-bromo-5-methyl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name2-(6-bromo-5-methyl-2-pyridinyl)morpholine
PubChem CID86586429
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-(6-bromo-5-methyl-2-pyridinyl)morpholine
SMILESCc1ccc(C2CNCCO2)nc1Br
InChIInChI=1S/C10H13BrN2O/c1-7-2-3-8(13-10(7)11)9-6-12-4-5-14-9/h2-3,9,12H,4-6H2,1H3
InChIKeyYBUXLGSUVSPMCR-UHFFFAOYSA-N
XLogP1.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(6-bromo-5-methyl-2-pyridinyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-5-methyl-2-pyridinyl)morpholine?
The IUPAC name of 2-(6-bromo-5-methyl-2-pyridinyl)morpholine (CID 86586429) is 2-(6-bromo-5-methyl-2-pyridinyl)morpholine.
What is the SMILES notation for 2-(6-bromo-5-methyl-2-pyridinyl)morpholine?
The canonical SMILES for 2-(6-bromo-5-methyl-2-pyridinyl)morpholine is Cc1ccc(C2CNCCO2)nc1Br.
What is the InChIKey of 2-(6-bromo-5-methyl-2-pyridinyl)morpholine?
The InChIKey is YBUXLGSUVSPMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7-2-3-8(13-10(7)11)9-6-12-4-5-14-9/h2-3,9,12H,4-6H2,1H3.
What are the key properties of 2-(6-bromo-5-methyl-2-pyridinyl)morpholine?
2-(6-bromo-5-methyl-2-pyridinyl)morpholine has a molecular weight of 257.13 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-5-methyl-2-pyridinyl)morpholine is sourced from PubChem (CID 86586429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).