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

C7H5F2NO4 — CID 130100260

IUPAC3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(O)c1C(F)F
InChIInChI=1S/C7H5F2NO4/c8-5(9)4-2(7(13)14)1-3(11)10-6(4)12/h1,5H,(H,13,14)(H2,10,11,12)
InChIKeyHYKZFORBUHHSIJ-UHFFFAOYSA-N
MW205.12 g/mol
LogP0.72
Rot. Bonds2

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

3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 130100260) has the molecular formula C7H5F2NO4 and a molecular weight of 205.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
PubChem CID130100260
Molecular FormulaC7H5F2NO4
Molecular Weight205.12 g/mol
Exact Mass205.02
IUPAC Name3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(O)c1C(F)F
InChIInChI=1S/C7H5F2NO4/c8-5(9)4-2(7(13)14)1-3(11)10-6(4)12/h1,5H,(H,13,14)(H2,10,11,12)
InChIKeyHYKZFORBUHHSIJ-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

6-Hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 334847
2,6-Dihydroxynicotinic acid
CID 135526603
2,6-Dihydroxy-5-fluoronicotinic acid
CID 135757331
2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
CID 136321754
3-fluoro-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
CID 152387759
2-Hydroxy-5-(trifluoromethyl)isonicotinic acid
CID 105459802
4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 118800466
2-(Difluoromethyl)-6-hydroxy-3-methylpyridine-4-carboxylic acid
CID 118803672
2-(4-(Difluoromethyl)-2,6-dihydroxypyridin-3-yl)acetic acid
CID 118818260
4-(Difluoromethyl)-6-hydroxy-2-methoxynicotinic acid
CID 118829699
2-(Difluoromethyl)-3-fluoro-6-hydroxypyridine-4-carboxylic acid
CID 118831573
4-(Difluoromethyl)-2-fluoro-6-hydroxynicotinic acid
CID 118835194

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid (CID 130100260) is 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c(O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is HYKZFORBUHHSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO4/c8-5(9)4-2(7(13)14)1-3(11)10-6(4)12/h1,5H,(H,13,14)(H2,10,11,12).
What are the key properties of 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid?
3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-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 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 130100260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).