5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid

C9H11NO4 — CID 136590204

IUPAC5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)n1cc(O)c(=O)c(C(=O)O)c1
InChIInChI=1S/C9H11NO4/c1-5(2)10-3-6(9(13)14)8(12)7(11)4-10/h3-5,11H,1-2H3,(H,13,14)
InChIKeySAUIZEHNQLGDJP-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.83
Rot. Bonds2

About 5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid

5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 136590204) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid
PubChem CID136590204
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)n1cc(O)c(=O)c(C(=O)O)c1
InChIInChI=1S/C9H11NO4/c1-5(2)10-3-6(9(13)14)8(12)7(11)4-10/h3-5,11H,1-2H3,(H,13,14)
InChIKeySAUIZEHNQLGDJP-UHFFFAOYSA-N
XLogP0.83
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid
CID 127050679
5-[[(1S)-2-carboxy-1-phenylethyl]carbamoyl]-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 124751395
5-[(2-carboxy-1-phenylethyl)carbamoyl]-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 91832667
4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 126441123
4-(2-aminophenyl)-1-propan-2-ylpyrrole-3-carboxylic acid
CID 117223426
4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid
CID 118788697
4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid
CID 119061488
8-bromo-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 82252685
5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 82252234
2-butan-2-yl-3-hydroxybenzoic acid
CID 67715219
3-hydroxy-2-(2-hydroxypropyl)benzoic acid
CID 174903948
5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid
CID 58067521

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid (CID 136590204) is 5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid is CC(C)n1cc(O)c(=O)c(C(=O)O)c1.
What is the InChIKey of 5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is SAUIZEHNQLGDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-5(2)10-3-6(9(13)14)8(12)7(11)4-10/h3-5,11H,1-2H3,(H,13,14).
What are the key properties of 5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 136590204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).