2-(6-bromoquinolin-2-yl)oxyacetaldehyde

C11H8BrNO2 — CID 54381903

IUPAC2-(6-bromoquinolin-2-yl)oxyacetaldehyde
SMILESO=CCOc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C11H8BrNO2/c12-9-2-3-10-8(7-9)1-4-11(13-10)15-6-5-14/h1-5,7H,6H2
InChIKeyZLTCEWPTWFIWNQ-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.58
Rot. Bonds3

About 2-(6-bromoquinolin-2-yl)oxyacetaldehyde

2-(6-bromoquinolin-2-yl)oxyacetaldehyde (PubChem CID 54381903) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 2-(6-bromoquinolin-2-yl)oxyacetaldehyde.

Molecular Properties

Compound Name2-(6-bromoquinolin-2-yl)oxyacetaldehyde
PubChem CID54381903
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name2-(6-bromoquinolin-2-yl)oxyacetaldehyde
SMILESO=CCOc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C11H8BrNO2/c12-9-2-3-10-8(7-9)1-4-11(13-10)15-6-5-14/h1-5,7H,6H2
InChIKeyZLTCEWPTWFIWNQ-UHFFFAOYSA-N
XLogP2.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(2,2-dimethylpropoxy)quinoline
CID 177434912
6-bromo-2-(4-phenylmethoxyphenoxy)quinoline
CID 141463365
2-(5-bromo-2-fluorophenoxy)acetaldehyde
CID 114674078
(6-bromoquinolin-2-yl)hydrazine
CID 53403025
6-bromo-2-(iodomethyl)quinoline
CID 89441334
(6-bromoisoquinolin-3-yl) formate
CID 89403095
6-bromo-2-(tribromomethyl)quinoline
CID 59321582
6-bromo-2-dimethoxyphosphorylquinoline
CID 132501798
6-bromo-2-chloroquinazoline;ethane
CID 143712376
2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde
CID 177054962
1,6-dibromonaphthalene-2-carbaldehyde
CID 88724899
2,6-dibromonaphthalene
CID 640591

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinolin-2-yl)oxyacetaldehyde?
The IUPAC name of 2-(6-bromoquinolin-2-yl)oxyacetaldehyde (CID 54381903) is 2-(6-bromoquinolin-2-yl)oxyacetaldehyde.
What is the SMILES notation for 2-(6-bromoquinolin-2-yl)oxyacetaldehyde?
The canonical SMILES for 2-(6-bromoquinolin-2-yl)oxyacetaldehyde is O=CCOc1ccc2cc(Br)ccc2n1.
What is the InChIKey of 2-(6-bromoquinolin-2-yl)oxyacetaldehyde?
The InChIKey is ZLTCEWPTWFIWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c12-9-2-3-10-8(7-9)1-4-11(13-10)15-6-5-14/h1-5,7H,6H2.
What are the key properties of 2-(6-bromoquinolin-2-yl)oxyacetaldehyde?
2-(6-bromoquinolin-2-yl)oxyacetaldehyde has a molecular weight of 266.09 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinolin-2-yl)oxyacetaldehyde is sourced from PubChem (CID 54381903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).