2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde

C8H4F5NO2 — CID 118826253

IUPAC2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C8H4F5NO2/c9-7(10)6-3(2-15)4(16)1-5(14-6)8(11,12)13/h1-2,7H,(H,14,16)
InChIKeySLOVRWLYSPJDPY-UHFFFAOYSA-N
MW241.12 g/mol
LogP2.14
Rot. Bonds2

About 2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde

2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (PubChem CID 118826253) has the molecular formula C8H4F5NO2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
PubChem CID118826253
Molecular FormulaC8H4F5NO2
Molecular Weight241.12 g/mol
Exact Mass241.02
IUPAC Name2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C8H4F5NO2/c9-7(10)6-3(2-15)4(16)1-5(14-6)8(11,12)13/h1-2,7H,(H,14,16)
InChIKeySLOVRWLYSPJDPY-UHFFFAOYSA-N
XLogP2.14
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-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

Related Compounds

2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118825989
2-(difluoromethyl)-3-(hydroxymethyl)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 130085372
2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134660918
3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 130083350
6-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile
CID 130076831
5-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-carbaldehyde
CID 130084413
6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
CID 118842995
3-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
CID 130085417
6-nitro-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 118833096
2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde
CID 118809039
2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130112222
4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130084707

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (CID 118826253) is 2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is O=Cc1c(C(F)F)[nH]c(C(F)(F)F)cc1=O.
What is the InChIKey of 2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The InChIKey is SLOVRWLYSPJDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO2/c9-7(10)6-3(2-15)4(16)1-5(14-6)8(11,12)13/h1-2,7H,(H,14,16).
What are the key properties of 2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde has a molecular weight of 241.12 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118826253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).