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

C7H5F2NO4 — CID 118806898

IUPAC4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)c(O)c(=O)[nH]1
InChIInChI=1S/C7H5F2NO4/c8-5(9)2-1-3(7(13)14)10-6(12)4(2)11/h1,5,11H,(H,10,12)(H,13,14)
InChIKeyALAFJHLMECVHCA-UHFFFAOYSA-N
MW205.12 g/mol
LogP0.72
Rot. Bonds2

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

4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 118806898) 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-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID118806898
Molecular FormulaC7H5F2NO4
Molecular Weight205.12 g/mol
Exact Mass205.02
IUPAC Name4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)c(O)c(=O)[nH]1
InChIInChI=1S/C7H5F2NO4/c8-5(9)2-1-3(7(13)14)10-6(12)4(2)11/h1,5,11H,(H,10,12)(H,13,14)
InChIKeyALAFJHLMECVHCA-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-(trifluoromethyl)pyridine-2-carboxylic acid
CID 72215673
5-Hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid
CID 54729311
5-(3-Carboxy-3-oxoprop-1-en-1-yl)-4,6-dihydroxypyridine-2-carboxylic acid
CID 135476774
5-(3-carboxy-3-oxoprop-1-enyl)-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid
CID 136379537
6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 84722345
5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 84724930
4-Amino-3-(difluoromethyl)-6-hydroxypicolinic acid
CID 118806514
4-(bromomethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 118812913
4-(Difluoromethyl)-3-fluoro-6-hydroxypicolinic acid
CID 118823284
4-(Difluoromethyl)-3,6-dihydroxypicolinic acid
CID 118823768
4-(Difluoromethyl)-6-hydroxy-5-methylpicolinic acid
CID 118823912
4-(Difluoromethyl)-5,6-dihydroxypicolinamide
CID 118828804

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid (CID 118806898) is 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1cc(C(F)F)c(O)c(=O)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is ALAFJHLMECVHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO4/c8-5(9)2-1-3(7(13)14)10-6(12)4(2)11/h1,5,11H,(H,10,12)(H,13,14).
What are the key properties of 4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid?
4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-2-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-2-carboxylic acid is sourced from PubChem (CID 118806898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).