2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde

C11H13BrN2O2 — CID 87556127

IUPAC2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde
SMILESO=CC(c1cccc(Br)n1)N1CCOCC1
InChIInChI=1S/C11H13BrN2O2/c12-11-3-1-2-9(13-11)10(8-15)14-4-6-16-7-5-14/h1-3,8,10H,4-7H2
InChIKeyJCVCTHLEXOTYMA-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.42
Rot. Bonds3

About 2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde

2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde (PubChem CID 87556127) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde
PubChem CID87556127
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde
SMILESO=CC(c1cccc(Br)n1)N1CCOCC1
InChIInChI=1S/C11H13BrN2O2/c12-11-3-1-2-9(13-11)10(8-15)14-4-6-16-7-5-14/h1-3,8,10H,4-7H2
InChIKeyJCVCTHLEXOTYMA-UHFFFAOYSA-N
XLogP1.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde 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-2-pyridinyl)-2-morpholin-4-ylacetaldehyde?
The IUPAC name of 2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde (CID 87556127) is 2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde is O=CC(c1cccc(Br)n1)N1CCOCC1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde?
The InChIKey is JCVCTHLEXOTYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-11-3-1-2-9(13-11)10(8-15)14-4-6-16-7-5-14/h1-3,8,10H,4-7H2.
What are the key properties of 2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde?
2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde has a molecular weight of 285.14 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)-2-morpholin-4-ylacetaldehyde is sourced from PubChem (CID 87556127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).