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

C9H11NO4 — CID 22498647

IUPAC1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(CCCO)c1=O
InChIInChI=1S/C9H11NO4/c11-6-2-5-10-4-1-3-7(8(10)12)9(13)14/h1,3-4,11H,2,5-6H2,(H,13,14)
InChIKeyCQMOFLQWRHAOGW-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.07
Rot. Bonds4

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

1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 22498647) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid
PubChem CID22498647
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(CCCO)c1=O
InChIInChI=1S/C9H11NO4/c11-6-2-5-10-4-1-3-7(8(10)12)9(13)14/h1,3-4,11H,2,5-6H2,(H,13,14)
InChIKeyCQMOFLQWRHAOGW-UHFFFAOYSA-N
XLogP-0.07
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid (CID 22498647) is 1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn(CCCO)c1=O.
What is the InChIKey of 1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is CQMOFLQWRHAOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c11-6-2-5-10-4-1-3-7(8(10)12)9(13)14/h1,3-4,11H,2,5-6H2,(H,13,14).
What are the key properties of 1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid?
1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 22498647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).