4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde

C7H4F3NO2 — CID 118846612

IUPAC4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)c(F)c[nH]c1=O
InChIInChI=1S/C7H4F3NO2/c8-4-1-11-7(13)3(2-12)5(4)6(9)10/h1-2,6H,(H,11,13)
InChIKeyZCXCOTXUCSNHQK-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.26
Rot. Bonds2

About 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde

4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118846612) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118846612
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)c(F)c[nH]c1=O
InChIInChI=1S/C7H4F3NO2/c8-4-1-11-7(13)3(2-12)5(4)6(9)10/h1-2,6H,(H,11,13)
InChIKeyZCXCOTXUCSNHQK-UHFFFAOYSA-N
XLogP1.26
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(difluoromethyl)-5-fluoro-2-oxo-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-Hydroxy-4-(trifluoromethyl)nicotinamide
CID 542065
2-Hydroxy-5-(trifluoromethyl)nicotinaldehyde
CID 19819669
2-Hydroxy-4-(trifluoromethyl)nicotinaldehyde
CID 53924800
5-Fluoro-2-oxo-1,2-dihydropyridine-3-carbaldehyde
CID 55300276
4-ethyl-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
CID 87701384
5-(fluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 123602649
3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde
CID 129917455
6-Hydroxy-5-(trifluoromethyl)nicotinaldehyde
CID 133096368
3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde
CID 141337902
ethane;2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
CID 142942956
Formyl carbamoylpyridone
CID 129813626
2-Hydroxy-3-(trifluoromethyl)isonicotinaldehyde
CID 118704366

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde (CID 118846612) is 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde is O=Cc1c(C(F)F)c(F)c[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is ZCXCOTXUCSNHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-4-1-11-7(13)3(2-12)5(4)6(9)10/h1-2,6H,(H,11,13).
What are the key properties of 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 191.11 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118846612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).