6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-2-carbaldehyde

C7H5F2NO3 — CID 118814611

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

About 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-2-carbaldehyde

6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 118814611) has the molecular formula C7H5F2NO3 and a molecular weight of 189.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-2-carbaldehyde
PubChem CID118814611
Molecular FormulaC7H5F2NO3
Molecular Weight189.12 g/mol
Exact Mass189.02
IUPAC Name6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1cc(=O)c(O)c(C(F)F)[nH]1
InChIInChI=1S/C7H5F2NO3/c8-7(9)5-6(13)4(12)1-3(2-11)10-5/h1-2,7,13H,(H,10,12)
InChIKeyPPMGTEFFCOMXPS-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

3-hydroxy-2-methyl-6-(trifluoromethyl)-1H-pyridin-4-one
CID 57468248
4-Hydroxy-6-(trifluoromethyl)picolinaldehyde
CID 72214091
2-(Difluoromethyl)-4-hydroxy-3-(trifluoromethoxy)pyridine-6-carboxaldehyde
CID 118815118
2-(Difluoromethyl)-4-hydroxypyridine-6-carboxaldehyde
CID 118820445
2-(Difluoromethyl)-3,4-dihydroxy-6-fluoropyridine
CID 118820585
2-(Difluoromethyl)-3,4-dihydroxy-6-methylpyridine
CID 118826205
2-(Difluoromethyl)-4-hydroxy-3-methoxypyridine-6-carboxaldehyde
CID 118831886
2-(Difluoromethyl)-3-fluoro-4-hydroxypyridine-6-carboxaldehyde
CID 118837246
6-(fluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde
CID 118849022
6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carbaldehyde
CID 130083440
6-(difluoromethyl)-2-fluoro-3-hydroxy-1H-pyridin-4-one
CID 130100053
6-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one
CID 130100109

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-2-carbaldehyde (CID 118814611) is 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-2-carbaldehyde is O=Cc1cc(=O)c(O)c(C(F)F)[nH]1.
What is the InChIKey of 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is PPMGTEFFCOMXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO3/c8-7(9)5-6(13)4(12)1-3(2-11)10-5/h1-2,7,13H,(H,10,12).
What are the key properties of 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-2-carbaldehyde?
6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-2-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)-5-hydroxy-4-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 118814611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).