1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid

C10H12N2O3 — CID 130696677

IUPAC1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid
SMILESCN1CC(n2cc(C(=O)O)ccc2=O)C1
InChIInChI=1S/C10H12N2O3/c1-11-5-8(6-11)12-4-7(10(14)15)2-3-9(12)13/h2-4,8H,5-6H2,1H3,(H,14,15)
InChIKeyQCPFDZFUTCXBJB-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.03
Rot. Bonds2

About 1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid

1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid (PubChem CID 130696677) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid
PubChem CID130696677
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid
SMILESCN1CC(n2cc(C(=O)O)ccc2=O)C1
InChIInChI=1S/C10H12N2O3/c1-11-5-8(6-11)12-4-7(10(14)15)2-3-9(12)13/h2-4,8H,5-6H2,1H3,(H,14,15)
InChIKeyQCPFDZFUTCXBJB-UHFFFAOYSA-N
XLogP0.03
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid (CID 130696677) is 1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid is CN1CC(n2cc(C(=O)O)ccc2=O)C1.
What is the InChIKey of 1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is QCPFDZFUTCXBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11-5-8(6-11)12-4-7(10(14)15)2-3-9(12)13/h2-4,8H,5-6H2,1H3,(H,14,15).
What are the key properties of 1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid?
1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylazetidin-3-yl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 130696677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).