2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde

C11H8FNO2 — CID 87648765

IUPAC2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde
SMILESO=CCn1c(=O)ccc2c(F)cccc21
InChIInChI=1S/C11H8FNO2/c12-9-2-1-3-10-8(9)4-5-11(15)13(10)6-7-14/h1-5,7H,6H2
InChIKeyQXWJELUNKFJPER-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.34
Rot. Bonds2

About 2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde

2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde (PubChem CID 87648765) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde
PubChem CID87648765
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde
SMILESO=CCn1c(=O)ccc2c(F)cccc21
InChIInChI=1S/C11H8FNO2/c12-9-2-1-3-10-8(9)4-5-11(15)13(10)6-7-14/h1-5,7H,6H2
InChIKeyQXWJELUNKFJPER-UHFFFAOYSA-N
XLogP1.34
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde?
The IUPAC name of 2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde (CID 87648765) is 2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde?
The canonical SMILES for 2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde is O=CCn1c(=O)ccc2c(F)cccc21.
What is the InChIKey of 2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde?
The InChIKey is QXWJELUNKFJPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c12-9-2-1-3-10-8(9)4-5-11(15)13(10)6-7-14/h1-5,7H,6H2.
What are the key properties of 2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde?
2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde has a molecular weight of 205.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde is sourced from PubChem (CID 87648765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).