6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid

C14H16N2O3 — CID 114247474

IUPAC6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CC3CC4CC3C2C4O)nc1
InChIInChI=1S/C14H16N2O3/c17-13-8-3-9-6-16(12(13)10(9)4-8)11-2-1-7(5-15-11)14(18)19/h1-2,5,8-10,12-13,17H,3-4,6H2,(H,18,19)
InChIKeyREFJJQIQGZPBLE-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.99
Rot. Bonds2

About 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid

6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid (PubChem CID 114247474) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid
PubChem CID114247474
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CC3CC4CC3C2C4O)nc1
InChIInChI=1S/C14H16N2O3/c17-13-8-3-9-6-16(12(13)10(9)4-8)11-2-1-7(5-15-11)14(18)19/h1-2,5,8-10,12-13,17H,3-4,6H2,(H,18,19)
InChIKeyREFJJQIQGZPBLE-UHFFFAOYSA-N
XLogP0.99
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)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-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid (CID 114247474) is 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CC3CC4CC3C2C4O)nc1.
What is the InChIKey of 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid?
The InChIKey is REFJJQIQGZPBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13-8-3-9-6-16(12(13)10(9)4-8)11-2-1-7(5-15-11)14(18)19/h1-2,5,8-10,12-13,17H,3-4,6H2,(H,18,19).
What are the key properties of 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid?
6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 114247474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).