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

C7H4F3NO2 — CID 130079620

IUPAC5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(F)[nH]c1=O
InChIInChI=1S/C7H4F3NO2/c8-5(9)4-1-3(2-12)7(13)11-6(4)10/h1-2,5H,(H,11,13)
InChIKeyVQZCZFJWIGAEHQ-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.26
Rot. Bonds2

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

5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 130079620) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID130079620
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(F)[nH]c1=O
InChIInChI=1S/C7H4F3NO2/c8-5(9)4-1-3(2-12)7(13)11-6(4)10/h1-2,5H,(H,11,13)
InChIKeyVQZCZFJWIGAEHQ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-5-(trifluoromethyl)nicotinaldehyde
CID 19819669
5-(fluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 123602649
6-Fluoro-2-hydroxynicotinaldehyde
CID 130781615
6-Hydroxy-5-(trifluoromethyl)nicotinaldehyde
CID 133096368
ethane;2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
CID 142942956
6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
CID 164520830
2-Hydroxy-6-(trifluoromethyl)isonicotinaldehyde
CID 72212955
4-(Difluoromethyl)-2-hydroxy-6-(trifluoromethyl)nicotinaldehyde
CID 118812457
4-(Difluoromethyl)-2-hydroxy-6-iodonicotinaldehyde
CID 118812648
2-(Difluoromethyl)-3-fluoro-6-hydroxypyridine-4-carboxaldehyde
CID 118814980
4-(Difluoromethyl)-6-fluoro-2-hydroxynicotinaldehyde
CID 118818292
2-(Difluoromethyl)-6-hydroxy-3-methylpyridine-5-carboxaldehyde
CID 118820604

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbaldehyde (CID 130079620) is 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbaldehyde is O=Cc1cc(C(F)F)c(F)[nH]c1=O.
What is the InChIKey of 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is VQZCZFJWIGAEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-5(9)4-1-3(2-12)7(13)11-6(4)10/h1-2,5H,(H,11,13).
What are the key properties of 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
5-(difluoromethyl)-6-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 5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 130079620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).