1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde

C12H7FINO2 — CID 25231976

IUPAC1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde
SMILESO=Cc1c(I)ccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C12H7FINO2/c13-8-1-3-9(4-2-8)15-6-5-11(14)10(7-16)12(15)17/h1-7H
InChIKeySMQAYADVUGGRBW-UHFFFAOYSA-N
MW343.10 g/mol
LogP2.39
Rot. Bonds2

About 1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde

1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde (PubChem CID 25231976) has the molecular formula C12H7FINO2 and a molecular weight of 343.10 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde
PubChem CID25231976
Molecular FormulaC12H7FINO2
Molecular Weight343.10 g/mol
Exact Mass342.95
IUPAC Name1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde
SMILESO=Cc1c(I)ccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C12H7FINO2/c13-8-1-3-9(4-2-8)15-6-5-11(14)10(7-16)12(15)17/h1-7H
InChIKeySMQAYADVUGGRBW-UHFFFAOYSA-N
XLogP2.39
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.10
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde (CID 25231976) is 1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde is O=Cc1c(I)ccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde?
The InChIKey is SMQAYADVUGGRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FINO2/c13-8-1-3-9(4-2-8)15-6-5-11(14)10(7-16)12(15)17/h1-7H.
What are the key properties of 1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde?
1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde has a molecular weight of 343.10 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 25231976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).