6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid

C11H14N2O3 — CID 43187366

IUPAC6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCC2CCCO2)nc1
InChIInChI=1S/C11H14N2O3/c14-11(15)8-3-4-10(12-6-8)13-7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2,(H,12,13)(H,14,15)
InChIKeyXWRZUKSTUINUGP-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.37
Rot. Bonds4

About 6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid

6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 43187366) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID43187366
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCC2CCCO2)nc1
InChIInChI=1S/C11H14N2O3/c14-11(15)8-3-4-10(12-6-8)13-7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2,(H,12,13)(H,14,15)
InChIKeyXWRZUKSTUINUGP-UHFFFAOYSA-N
XLogP1.37
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(oxolan-2-ylmethylamino)pyridine-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 6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid (CID 43187366) is 6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid is O=C(O)c1ccc(NCC2CCCO2)nc1.
What is the InChIKey of 6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is XWRZUKSTUINUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-11(15)8-3-4-10(12-6-8)13-7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2,(H,12,13)(H,14,15).
What are the key properties of 6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid?
6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 43187366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).