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

C7H5F2NO4 — CID 130100251

IUPAC2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(O)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H5F2NO4/c8-5(9)4-2(7(13)14)1-3(11)6(12)10-4/h1,5,11H,(H,10,12)(H,13,14)
InChIKeyGVTUVGXAOGPISH-UHFFFAOYSA-N
MW205.12 g/mol
LogP0.72
Rot. Bonds2

About 2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid

2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 130100251) has the molecular formula C7H5F2NO4 and a molecular weight of 205.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID130100251
Molecular FormulaC7H5F2NO4
Molecular Weight205.12 g/mol
Exact Mass205.02
IUPAC Name2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(O)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H5F2NO4/c8-5(9)4-2(7(13)14)1-3(11)6(12)10-4/h1,5,11H,(H,10,12)(H,13,14)
InChIKeyGVTUVGXAOGPISH-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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Related Compounds

5-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid
CID 130079672
2-(difluoromethyl)-5-(2-methylbutan-2-yl)-1H-pyrrole-3-carboxylic acid
CID 165441235
6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride
CID 118814881
5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 130110697
2-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 118820480
2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid
CID 119022040
5-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 130072667
6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 119013283
2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 118837824
CID 172784976
CID 172784976
sodium 2,4,5-trihydroxybenzoic acid
CID 54609951
2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid
CID 139950866

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid (CID 130100251) is 2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1cc(O)c(=O)[nH]c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is GVTUVGXAOGPISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO4/c8-5(9)4-2(7(13)14)1-3(11)6(12)10-4/h1,5,11H,(H,10,12)(H,13,14).
What are the key properties of 2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid?
2-(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 2-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 130100251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).