3-fluoro-6-oxo-1H-pyridine-2-carbaldehyde

C6H4FNO2 — CID 105428182

IUPAC3-fluoro-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)ccc1F
InChIInChI=1S/C6H4FNO2/c7-4-1-2-6(10)8-5(4)3-9/h1-3H,(H,8,10)
InChIKeyQEYPNPNQOHEGIG-UHFFFAOYSA-N
MW141.10 g/mol
LogP0.33
Rot. Bonds1

About 3-fluoro-6-oxo-1H-pyridine-2-carbaldehyde

3-fluoro-6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 105428182) has the molecular formula C6H4FNO2 and a molecular weight of 141.10 g/mol. Its IUPAC name is 3-fluoro-6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-fluoro-6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID105428182
Molecular FormulaC6H4FNO2
Molecular Weight141.10 g/mol
Exact Mass141.02
IUPAC Name3-fluoro-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)ccc1F
InChIInChI=1S/C6H4FNO2/c7-4-1-2-6(10)8-5(4)3-9/h1-3H,(H,8,10)
InChIKeyQEYPNPNQOHEGIG-UHFFFAOYSA-N
XLogP0.33
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 50.33
H-Bond Donors ≤ 51
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-1H-pyridine-2-carbaldehyde?
The IUPAC name of 3-fluoro-6-oxo-1H-pyridine-2-carbaldehyde (CID 105428182) is 3-fluoro-6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 3-fluoro-6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 3-fluoro-6-oxo-1H-pyridine-2-carbaldehyde is O=Cc1[nH]c(=O)ccc1F.
What is the InChIKey of 3-fluoro-6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is QEYPNPNQOHEGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO2/c7-4-1-2-6(10)8-5(4)3-9/h1-3H,(H,8,10).
What are the key properties of 3-fluoro-6-oxo-1H-pyridine-2-carbaldehyde?
3-fluoro-6-oxo-1H-pyridine-2-carbaldehyde has a molecular weight of 141.10 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 105428182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).