1-(2-hydroxyethyl)-2-oxopyridine-4-carboxylic acid

C8H9NO4 — CID 82903570

IUPAC1-(2-hydroxyethyl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCO)c(=O)c1
InChIInChI=1S/C8H9NO4/c10-4-3-9-2-1-6(8(12)13)5-7(9)11/h1-2,5,10H,3-4H2,(H,12,13)
InChIKeyBCFBXCCXBSELPK-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.46
Rot. Bonds3

About 1-(2-hydroxyethyl)-2-oxopyridine-4-carboxylic acid

1-(2-hydroxyethyl)-2-oxopyridine-4-carboxylic acid (PubChem CID 82903570) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2-oxopyridine-4-carboxylic acid
PubChem CID82903570
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name1-(2-hydroxyethyl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCO)c(=O)c1
InChIInChI=1S/C8H9NO4/c10-4-3-9-2-1-6(8(12)13)5-7(9)11/h1-2,5,10H,3-4H2,(H,12,13)
InChIKeyBCFBXCCXBSELPK-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-4-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-2-oxopyridine-4-carboxylic acid (CID 82903570) is 1-(2-hydroxyethyl)-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-2-oxopyridine-4-carboxylic acid is O=C(O)c1ccn(CCO)c(=O)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-2-oxopyridine-4-carboxylic acid?
The InChIKey is BCFBXCCXBSELPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c10-4-3-9-2-1-6(8(12)13)5-7(9)11/h1-2,5,10H,3-4H2,(H,12,13).
What are the key properties of 1-(2-hydroxyethyl)-2-oxopyridine-4-carboxylic acid?
1-(2-hydroxyethyl)-2-oxopyridine-4-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-4-carboxylic acid is sourced from PubChem (CID 82903570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).