1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid

C9H10N2O3 — CID 138720001

IUPAC1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(C2CNC2)c(=O)c1
InChIInChI=1S/C9H10N2O3/c12-8-3-6(9(13)14)1-2-11(8)7-4-10-5-7/h1-3,7,10H,4-5H2,(H,13,14)
InChIKeyNJUZYJVUFOOCHG-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.31
Rot. Bonds2

About 1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid

1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid (PubChem CID 138720001) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid
PubChem CID138720001
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(C2CNC2)c(=O)c1
InChIInChI=1S/C9H10N2O3/c12-8-3-6(9(13)14)1-2-11(8)7-4-10-5-7/h1-3,7,10H,4-5H2,(H,13,14)
InChIKeyNJUZYJVUFOOCHG-UHFFFAOYSA-N
XLogP-0.31
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid (CID 138720001) is 1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid is O=C(O)c1ccn(C2CNC2)c(=O)c1.
What is the InChIKey of 1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid?
The InChIKey is NJUZYJVUFOOCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-8-3-6(9(13)14)1-2-11(8)7-4-10-5-7/h1-3,7,10H,4-5H2,(H,13,14).
What are the key properties of 1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid?
1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 138720001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).