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

C7H4F3NO2 — CID 118704370

IUPAC6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1ccc(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)6-4(3-12)1-2-5(13)11-6/h1-3H,(H,11,13)
InChIKeyLOHSKNWRXFQNLC-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.21
Rot. Bonds1

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

6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (PubChem CID 118704370) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
PubChem CID118704370
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1ccc(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)6-4(3-12)1-2-5(13)11-6/h1-3H,(H,11,13)
InChIKeyLOHSKNWRXFQNLC-UHFFFAOYSA-N
XLogP1.21
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-oxo-2-(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-Methyl-6-oxo-1,6-dihydropyridine-3-carbaldehyde
CID 86695785
6-Hydroxy-4-(trifluoromethyl)picolinaldehyde
CID 57557587
2-fluoro-6-oxo-1H-pyridine-3-carbaldehyde
CID 58047171
5-Methyl-6-(trifluoromethyl)pyridin-2-ol
CID 58172802
6-Hydroxy-2-(trifluoromethyl)nicotinamide
CID 130953535
6-Methyl-5-(trifluoromethyl)pyridin-2-ol
CID 143625923
2-Hydroxy-6-(trifluoromethyl)isonicotinaldehyde
CID 72212955
2-(Difluoromethyl)-6-hydroxypyridine-3-carboxamide
CID 99991597
4-(Difluoromethyl)-6-hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118800385
4-Amino-3-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118800888
2-(Difluoromethyl)-4-fluoro-6-hydroxypyridine-3-carboxaldehyde
CID 118803557
2-(Difluoromethyl)-6-hydroxy-5-methylpyridine-3-carboxaldehyde
CID 118803844

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (CID 118704370) is 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is O=Cc1ccc(=O)[nH]c1C(F)(F)F.
What is the InChIKey of 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The InChIKey is LOHSKNWRXFQNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-7(9,10)6-4(3-12)1-2-5(13)11-6/h1-3H,(H,11,13).
What are the key properties of 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbaldehyde has a molecular weight of 191.11 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118704370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).