6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid

C12H14N2O3 — CID 121202191

IUPAC6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CC3CC(C2)C3O)nc1
InChIInChI=1S/C12H14N2O3/c15-11-8-3-9(11)6-14(5-8)10-2-1-7(4-13-10)12(16)17/h1-2,4,8-9,11,15H,3,5-6H2,(H,16,17)
InChIKeyDTKQIVVKYGLQGG-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.60
Rot. Bonds2

About 6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid

6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid (PubChem CID 121202191) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid
PubChem CID121202191
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CC3CC(C2)C3O)nc1
InChIInChI=1S/C12H14N2O3/c15-11-8-3-9(11)6-14(5-8)10-2-1-7(4-13-10)12(16)17/h1-2,4,8-9,11,15H,3,5-6H2,(H,16,17)
InChIKeyDTKQIVVKYGLQGG-UHFFFAOYSA-N
XLogP0.60
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
CID 121200824
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83967781
2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid
CID 83832434
6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 82116544
6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid
CID 166288576
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79935281

Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid (CID 121202191) is 6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CC3CC(C2)C3O)nc1.
What is the InChIKey of 6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid?
The InChIKey is DTKQIVVKYGLQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11-8-3-9(11)6-14(5-8)10-2-1-7(4-13-10)12(16)17/h1-2,4,8-9,11,15H,3,5-6H2,(H,16,17).
What are the key properties of 6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid?
6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 121202191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).