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

C8H4F5NO2 — CID 118997240

IUPAC6-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)c(C(F)F)[nH]c1=O
InChIInChI=1S/C8H4F5NO2/c9-6(10)5-4(8(11,12)13)1-3(2-15)7(16)14-5/h1-2,6H,(H,14,16)
InChIKeyVVDIKULRZQQJCS-UHFFFAOYSA-N
MW241.12 g/mol
LogP2.14
Rot. Bonds2

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

6-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (PubChem CID 118997240) has the molecular formula C8H4F5NO2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
PubChem CID118997240
Molecular FormulaC8H4F5NO2
Molecular Weight241.12 g/mol
Exact Mass241.02
IUPAC Name6-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)c(C(F)F)[nH]c1=O
InChIInChI=1S/C8H4F5NO2/c9-6(10)5-4(8(11,12)13)1-3(2-15)7(16)14-5/h1-2,6H,(H,14,16)
InChIKeyVVDIKULRZQQJCS-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
6-Hydroxy-4-(trifluoromethyl)picolinaldehyde
CID 57557587
2-Oxo-6-(pentafluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828238
6,6-Difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde
CID 170632246
5-(hydroxymethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
CID 178834487
2-Hydroxy-6-(trifluoromethyl)isonicotinaldehyde
CID 72212955
6-Hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118704370
4-(Difluoromethyl)-6-hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118800385
2-(Difluoromethyl)-4-fluoro-6-hydroxypyridine-3-carboxaldehyde
CID 118803557
2-(Difluoromethyl)-6-hydroxy-5-methylpyridine-3-carboxaldehyde
CID 118803844
2-(Difluoromethyl)-6-hydroxy-5-(trifluoromethyl)pyridine-3-carboxaldehyde
CID 118803864
4-(Difluoromethyl)-6-hydroxy-5-(trifluoromethyl)picolinaldehyde
CID 118807216

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (CID 118997240) is 6-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is O=Cc1cc(C(F)(F)F)c(C(F)F)[nH]c1=O.
What is the InChIKey of 6-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The InChIKey is VVDIKULRZQQJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO2/c9-6(10)5-4(8(11,12)13)1-3(2-15)7(16)14-5/h1-2,6H,(H,14,16).
What are the key properties of 6-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
6-(difluoromethyl)-2-oxo-5-(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 6-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118997240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).