1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde

C8H8FNO2 — CID 86622742

IUPAC1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde
SMILESCCn1cc(F)cc(C=O)c1=O
InChIInChI=1S/C8H8FNO2/c1-2-10-4-7(9)3-6(5-11)8(10)12/h3-5H,2H2,1H3
InChIKeyRLJXCFCIVNBXKP-UHFFFAOYSA-N
MW169.16 g/mol
LogP0.82
Rot. Bonds2

About 1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde

1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde (PubChem CID 86622742) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde
PubChem CID86622742
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde
SMILESCCn1cc(F)cc(C=O)c1=O
InChIInChI=1S/C8H8FNO2/c1-2-10-4-7(9)3-6(5-11)8(10)12/h3-5H,2H2,1H3
InChIKeyRLJXCFCIVNBXKP-UHFFFAOYSA-N
XLogP0.82
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.82
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 1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde (CID 86622742) is 1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde is CCn1cc(F)cc(C=O)c1=O.
What is the InChIKey of 1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde?
The InChIKey is RLJXCFCIVNBXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-2-10-4-7(9)3-6(5-11)8(10)12/h3-5H,2H2,1H3.
What are the key properties of 1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde?
1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde has a molecular weight of 169.16 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 86622742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).