4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde

C8H5F4NO3 — CID 118828993

IUPAC4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(CF)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C8H5F4NO3/c9-2-4-1-6(15)13-7(5(4)3-14)16-8(10,11)12/h1,3H,2H2,(H,13,15)
InChIKeyCPOZICCTNYFSAR-UHFFFAOYSA-N
MW239.12 g/mol
LogP1.56
Rot. Bonds3

About 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde

4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde (PubChem CID 118828993) has the molecular formula C8H5F4NO3 and a molecular weight of 239.12 g/mol. Its IUPAC name is 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
PubChem CID118828993
Molecular FormulaC8H5F4NO3
Molecular Weight239.12 g/mol
Exact Mass239.02
IUPAC Name4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(CF)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C8H5F4NO3/c9-2-4-1-6(15)13-7(5(4)3-14)16-8(10,11)12/h1,3H,2H2,(H,13,15)
InChIKeyCPOZICCTNYFSAR-UHFFFAOYSA-N
XLogP1.56
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-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 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde (CID 118828993) is 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde is O=Cc1c(CF)cc(=O)[nH]c1OC(F)(F)F.
What is the InChIKey of 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
The InChIKey is CPOZICCTNYFSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO3/c9-2-4-1-6(15)13-7(5(4)3-14)16-8(10,11)12/h1,3H,2H2,(H,13,15).
What are the key properties of 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde?
4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde has a molecular weight of 239.12 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118828993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).