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

C7H4F3NO2 — CID 118842995

IUPAC6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(F)c(C(F)F)[nH]c1=O
InChIInChI=1S/C7H4F3NO2/c8-4-1-3(2-12)7(13)11-5(4)6(9)10/h1-2,6H,(H,11,13)
InChIKeyQNIYMIRZRRLSNI-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.26
Rot. Bonds2

About 6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde

6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118842995) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118842995
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(F)c(C(F)F)[nH]c1=O
InChIInChI=1S/C7H4F3NO2/c8-4-1-3(2-12)7(13)11-5(4)6(9)10/h1-2,6H,(H,11,13)
InChIKeyQNIYMIRZRRLSNI-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

5-(chloromethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130085193
6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
CID 118837355
6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one
CID 130079289
5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130072658
2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde
CID 118832066
6-(bromomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084830
2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde
CID 118832080
5-fluoro-2-oxo-1H-quinoline-3-carbaldehyde
CID 141308014
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 119023480
5-(difluoromethyl)-2,3-difluorobenzaldehyde
CID 84663702
3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082831
6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde
CID 137203197

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde (CID 118842995) is 6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde is O=Cc1cc(F)c(C(F)F)[nH]c1=O.
What is the InChIKey of 6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is QNIYMIRZRRLSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-4-1-3(2-12)7(13)11-5(4)6(9)10/h1-2,6H,(H,11,13).
What are the key properties of 6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
6-(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 6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118842995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).