4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde

C8H8FNO2 — CID 87701384

IUPAC4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCCc1c(F)c[nH]c(=O)c1C=O
InChIInChI=1S/C8H8FNO2/c1-2-5-6(4-11)8(12)10-3-7(5)9/h3-4H,2H2,1H3,(H,10,12)
InChIKeyCSPOHVRXZHJUGK-UHFFFAOYSA-N
MW169.16 g/mol
LogP0.89
Rot. Bonds2

About 4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde

4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 87701384) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID87701384
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCCc1c(F)c[nH]c(=O)c1C=O
InChIInChI=1S/C8H8FNO2/c1-2-5-6(4-11)8(12)10-3-7(5)9/h3-4H,2H2,1H3,(H,10,12)
InChIKeyCSPOHVRXZHJUGK-UHFFFAOYSA-N
XLogP0.89
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.89
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 4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde (CID 87701384) is 4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde is CCc1c(F)c[nH]c(=O)c1C=O.
What is the InChIKey of 4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is CSPOHVRXZHJUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-2-5-6(4-11)8(12)10-3-7(5)9/h3-4H,2H2,1H3,(H,10,12).
What are the key properties of 4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 169.16 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 87701384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).