2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde

C7H5F2NO3 — CID 118809039

IUPAC2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)[nH]cc(O)c1=O
InChIInChI=1S/C7H5F2NO3/c8-7(9)5-3(2-11)6(13)4(12)1-10-5/h1-2,7,12H,(H,10,13)
InChIKeyWWEDTYIWGRKNHF-UHFFFAOYSA-N
MW189.12 g/mol
LogP0.83
Rot. Bonds2

About 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde

2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118809039) has the molecular formula C7H5F2NO3 and a molecular weight of 189.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118809039
Molecular FormulaC7H5F2NO3
Molecular Weight189.12 g/mol
Exact Mass189.02
IUPAC Name2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)[nH]cc(O)c1=O
InChIInChI=1S/C7H5F2NO3/c8-7(9)5-3(2-11)6(13)4(12)1-10-5/h1-2,7,12H,(H,10,13)
InChIKeyWWEDTYIWGRKNHF-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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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde (CID 118809039) is 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde is O=Cc1c(C(F)F)[nH]cc(O)c1=O.
What is the InChIKey of 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is WWEDTYIWGRKNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO3/c8-7(9)5-3(2-11)6(13)4(12)1-10-5/h1-2,7,12H,(H,10,13).
What are the key properties of 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde?
2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-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 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118809039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).