1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid

C8H9NO4 — CID 22498669

IUPAC1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(CCO)c1=O
InChIInChI=1S/C8H9NO4/c10-5-4-9-3-1-2-6(7(9)11)8(12)13/h1-3,10H,4-5H2,(H,12,13)
InChIKeyNWHVXZOVQTTWNI-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.46
Rot. Bonds3

About 1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid

1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 22498669) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
PubChem CID22498669
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(CCO)c1=O
InChIInChI=1S/C8H9NO4/c10-5-4-9-3-1-2-6(7(9)11)8(12)13/h1-3,10H,4-5H2,(H,12,13)
InChIKeyNWHVXZOVQTTWNI-UHFFFAOYSA-N
XLogP-0.46
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid (CID 22498669) is 1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn(CCO)c1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is NWHVXZOVQTTWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c10-5-4-9-3-1-2-6(7(9)11)8(12)13/h1-3,10H,4-5H2,(H,12,13).
What are the key properties of 1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid?
1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 22498669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).