6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde

C10H6FNO2 — CID 83753028

IUPAC6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde
SMILESO=Cc1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C10H6FNO2/c11-7-1-2-9-8(4-7)6(5-13)3-10(14)12-9/h1-5H,(H,12,14)
InChIKeyKHKFTIBCSVHMBH-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.48
Rot. Bonds1

About 6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde

6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde (PubChem CID 83753028) has the molecular formula C10H6FNO2 and a molecular weight of 191.16 g/mol. Its IUPAC name is 6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde
PubChem CID83753028
Molecular FormulaC10H6FNO2
Molecular Weight191.16 g/mol
Exact Mass191.04
IUPAC Name6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde
SMILESO=Cc1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C10H6FNO2/c11-7-1-2-9-8(4-7)6(5-13)3-10(14)12-9/h1-5H,(H,12,14)
InChIKeyKHKFTIBCSVHMBH-UHFFFAOYSA-N
XLogP1.48
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde 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 6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde?
The IUPAC name of 6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde (CID 83753028) is 6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde.
What is the SMILES notation for 6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde?
The canonical SMILES for 6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde is O=Cc1cc(=O)[nH]c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde?
The InChIKey is KHKFTIBCSVHMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2/c11-7-1-2-9-8(4-7)6(5-13)3-10(14)12-9/h1-5H,(H,12,14).
What are the key properties of 6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde?
6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde has a molecular weight of 191.16 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde is sourced from PubChem (CID 83753028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).