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

C7H4F3NO2 — CID 118803557

IUPAC2-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(F)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C7H4F3NO2/c8-4-1-5(13)11-6(7(9)10)3(4)2-12/h1-2,7H,(H,11,13)
InChIKeyZDLJXDZLKJDESM-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.26
Rot. Bonds2

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

2-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118803557) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118803557
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name2-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(F)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C7H4F3NO2/c8-4-1-5(13)11-6(7(9)10)3(4)2-12/h1-2,7H,(H,11,13)
InChIKeyZDLJXDZLKJDESM-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'}

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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
6-Hydroxy-2-(trifluoromethyl)nicotinamide
CID 130953535
2-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 145360219
2-Hydroxy-6-(trifluoromethyl)isonicotinaldehyde
CID 72212955
2-(Difluoromethyl)-6-hydroxypyridine-3-carboxamide
CID 99991597
6-Hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118704370
4-(Difluoromethyl)-6-hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118800385
4-Amino-3-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118800888
2-(Difluoromethyl)-6-hydroxy-5-methylpyridine-3-carboxaldehyde
CID 118803844
2-(Difluoromethyl)-6-hydroxy-5-(trifluoromethyl)pyridine-3-carboxaldehyde
CID 118803864

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridine-3-carbaldehyde (CID 118803557) is 2-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridine-3-carbaldehyde is O=Cc1c(F)cc(=O)[nH]c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is ZDLJXDZLKJDESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-4-1-5(13)11-6(7(9)10)3(4)2-12/h1-2,7H,(H,11,13).
What are the key properties of 2-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridine-3-carbaldehyde?
2-(difluoromethyl)-4-fluoro-6-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 2-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118803557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).