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

C7H5F2NO3 — CID 137203197

IUPAC6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)F)[nH]c(=O)c1O
InChIInChI=1S/C7H5F2NO3/c8-6(9)4-1-3(2-11)5(12)7(13)10-4/h1-2,6,12H,(H,10,13)
InChIKeyRIJRDMZTVUQOHI-UHFFFAOYSA-N
MW189.12 g/mol
LogP0.83
Rot. Bonds2

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

6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde (PubChem CID 137203197) has the molecular formula C7H5F2NO3 and a molecular weight of 189.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde
PubChem CID137203197
Molecular FormulaC7H5F2NO3
Molecular Weight189.12 g/mol
Exact Mass189.02
IUPAC Name6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)F)[nH]c(=O)c1O
InChIInChI=1S/C7H5F2NO3/c8-6(9)4-1-3(2-11)5(12)7(13)10-4/h1-2,6,12H,(H,10,13)
InChIKeyRIJRDMZTVUQOHI-UHFFFAOYSA-N
XLogP0.83
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 133093299
6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
CID 118842995
2-amino-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 119007865
6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one
CID 130099992
6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one
CID 130100125
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 119023480
5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130072658
6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde
CID 130083899
2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde
CID 118832066
3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082831
4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 118823010
3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130110117

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde (CID 137203197) is 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde is O=Cc1cc(C(F)F)[nH]c(=O)c1O.
What is the InChIKey of 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde?
The InChIKey is RIJRDMZTVUQOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO3/c8-6(9)4-1-3(2-11)5(12)7(13)10-4/h1-2,6,12H,(H,10,13).
What are the key properties of 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde?
6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde has a molecular weight of 189.12 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 137203197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).