2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde

C9H10BrNO2 — CID 89022712

IUPAC2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde
SMILESO=CCOCCc1cccc(Br)n1
InChIInChI=1S/C9H10BrNO2/c10-9-3-1-2-8(11-9)4-6-13-7-5-12/h1-3,5H,4,6-7H2
InChIKeyBOAIQQCSOPVHKJ-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.60
Rot. Bonds5

About 2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde

2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde (PubChem CID 89022712) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde
PubChem CID89022712
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde
SMILESO=CCOCCc1cccc(Br)n1
InChIInChI=1S/C9H10BrNO2/c10-9-3-1-2-8(11-9)4-6-13-7-5-12/h1-3,5H,4,6-7H2
InChIKeyBOAIQQCSOPVHKJ-UHFFFAOYSA-N
XLogP1.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde?
The IUPAC name of 2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde (CID 89022712) is 2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde.
What is the SMILES notation for 2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde?
The canonical SMILES for 2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde is O=CCOCCc1cccc(Br)n1.
What is the InChIKey of 2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde?
The InChIKey is BOAIQQCSOPVHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-9-3-1-2-8(11-9)4-6-13-7-5-12/h1-3,5H,4,6-7H2.
What are the key properties of 2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde?
2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde has a molecular weight of 244.09 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde is sourced from PubChem (CID 89022712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).