2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde

C10H8FNO2 — CID 170482935

IUPAC2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde
SMILESO=CCC=Cc1ccnc(F)c1C=O
InChIInChI=1S/C10H8FNO2/c11-10-9(7-14)8(4-5-12-10)3-1-2-6-13/h1,3-7H,2H2
InChIKeyMLTQHOKJVMHWHG-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.64
Rot. Bonds4

About 2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde

2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde (PubChem CID 170482935) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde
PubChem CID170482935
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde
SMILESO=CCC=Cc1ccnc(F)c1C=O
InChIInChI=1S/C10H8FNO2/c11-10-9(7-14)8(4-5-12-10)3-1-2-6-13/h1,3-7H,2H2
InChIKeyMLTQHOKJVMHWHG-UHFFFAOYSA-N
XLogP1.64
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde (CID 170482935) is 2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde is O=CCC=Cc1ccnc(F)c1C=O.
What is the InChIKey of 2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde?
The InChIKey is MLTQHOKJVMHWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-10-9(7-14)8(4-5-12-10)3-1-2-6-13/h1,3-7H,2H2.
What are the key properties of 2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde?
2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde has a molecular weight of 193.18 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-oxobut-1-enyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 170482935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).