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

C8H4F5NO2 — CID 118812457

IUPAC4-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H4F5NO2/c9-6(10)3-1-5(8(11,12)13)14-7(16)4(3)2-15/h1-2,6H,(H,14,16)
InChIKeyOVNGKKQBBJDOED-UHFFFAOYSA-N
MW241.12 g/mol
LogP2.14
Rot. Bonds2

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

4-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (PubChem CID 118812457) has the molecular formula C8H4F5NO2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
PubChem CID118812457
Molecular FormulaC8H4F5NO2
Molecular Weight241.12 g/mol
Exact Mass241.02
IUPAC Name4-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H4F5NO2/c9-6(10)3-1-5(8(11,12)13)14-7(16)4(3)2-15/h1-2,6H,(H,14,16)
InChIKeyOVNGKKQBBJDOED-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'}

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Related Compounds

1,2-Dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxaldehyde
CID 118704032
2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 11065630
2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinamide
CID 14043512
2-Oxo-6-(pentafluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828238
2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 89690179
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 90344265
2-oxo-6-(1,1,2,2,3-pentafluoropropyl)-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 144685135
4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 170699866
4-methyl-3,6-bis(trifluoromethyl)-1H-pyridin-2-one
CID 173378771
3,4,6-tris(trifluoromethyl)-1H-pyridin-2-one
CID 173379039
3-methyl-4,6-bis(trifluoromethyl)-1H-pyridin-2-one
CID 173379112
4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane
CID 177238847

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (CID 118812457) is 4-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is O=Cc1c(C(F)F)cc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The InChIKey is OVNGKKQBBJDOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO2/c9-6(10)3-1-5(8(11,12)13)14-7(16)4(3)2-15/h1-2,6H,(H,14,16).
What are the key properties of 4-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
4-(difluoromethyl)-2-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 4-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118812457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).