3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde

C6H4FNO2 — CID 78292265

IUPAC3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde
SMILESO=CC1=CC(=O)N=CC1F
InChIInChI=1S/C6H4FNO2/c7-5-2-8-6(10)1-4(5)3-9/h1-3,5H
InChIKeyIOGNPTXQRNSXPU-UHFFFAOYSA-N
MW141.10 g/mol
LogP0.06
Rot. Bonds1

About 3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde

3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde (PubChem CID 78292265) has the molecular formula C6H4FNO2 and a molecular weight of 141.10 g/mol. Its IUPAC name is 3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde
PubChem CID78292265
Molecular FormulaC6H4FNO2
Molecular Weight141.10 g/mol
Exact Mass141.02
IUPAC Name3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde
SMILESO=CC1=CC(=O)N=CC1F
InChIInChI=1S/C6H4FNO2/c7-5-2-8-6(10)1-4(5)3-9/h1-3,5H
InChIKeyIOGNPTXQRNSXPU-UHFFFAOYSA-N
XLogP0.06
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde?
The IUPAC name of 3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde (CID 78292265) is 3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde.
What is the SMILES notation for 3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde?
The canonical SMILES for 3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde is O=CC1=CC(=O)N=CC1F.
What is the InChIKey of 3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde?
The InChIKey is IOGNPTXQRNSXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO2/c7-5-2-8-6(10)1-4(5)3-9/h1-3,5H.
What are the key properties of 3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde?
3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde has a molecular weight of 141.10 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-oxo-3H-pyridine-4-carbaldehyde is sourced from PubChem (CID 78292265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).