4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid

C7H5F2NO4 — CID 118846844

IUPAC4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(O)c1C(F)F
InChIInChI=1S/C7H5F2NO4/c8-5(9)3-2(7(13)14)1-10-6(12)4(3)11/h1,5,11H,(H,10,12)(H,13,14)
InChIKeyZNPLUUVFUJRHFJ-UHFFFAOYSA-N
MW205.12 g/mol
LogP0.72
Rot. Bonds2

About 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid

4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118846844) has the molecular formula C7H5F2NO4 and a molecular weight of 205.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID118846844
Molecular FormulaC7H5F2NO4
Molecular Weight205.12 g/mol
Exact Mass205.02
IUPAC Name4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(O)c1C(F)F
InChIInChI=1S/C7H5F2NO4/c8-5(9)3-2(7(13)14)1-10-6(12)4(3)11/h1,5,11H,(H,10,12)(H,13,14)
InChIKeyZNPLUUVFUJRHFJ-UHFFFAOYSA-N
XLogP0.72
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.12
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid (CID 118846844) is 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(=O)c(O)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ZNPLUUVFUJRHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO4/c8-5(9)3-2(7(13)14)1-10-6(12)4(3)11/h1,5,11H,(H,10,12)(H,13,14).
What are the key properties of 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid?
4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 205.12 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118846844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).