2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid

C13H16N2O3 — CID 55237033

IUPAC2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1C2CCC1CC(O)C2
InChIInChI=1S/C13H16N2O3/c16-10-6-8-3-4-9(7-10)15(8)12-11(13(17)18)2-1-5-14-12/h1-2,5,8-10,16H,3-4,6-7H2,(H,17,18)
InChIKeyVKPUPBHNNRDWEZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.27
Rot. Bonds2

About 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid (PubChem CID 55237033) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid
PubChem CID55237033
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1C2CCC1CC(O)C2
InChIInChI=1S/C13H16N2O3/c16-10-6-8-3-4-9(7-10)15(8)12-11(13(17)18)2-1-5-14-12/h1-2,5,8-10,16H,3-4,6-7H2,(H,17,18)
InChIKeyVKPUPBHNNRDWEZ-UHFFFAOYSA-N
XLogP1.27
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid (CID 55237033) is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1C2CCC1CC(O)C2.
What is the InChIKey of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid?
The InChIKey is VKPUPBHNNRDWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-10-6-8-3-4-9(7-10)15(8)12-11(13(17)18)2-1-5-14-12/h1-2,5,8-10,16H,3-4,6-7H2,(H,17,18).
What are the key properties of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid?
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 55237033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).