2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid

C14H16N2O4 — CID 63764553

IUPAC2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H16N2O4/c17-10-6-8-3-4-9(7-10)16(8)13(18)12-11(14(19)20)2-1-5-15-12/h1-2,5,8-10,17H,3-4,6-7H2,(H,19,20)
InChIKeyCJQNZBZEKFECJE-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.91
Rot. Bonds2

About 2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid

2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid (PubChem CID 63764553) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid
PubChem CID63764553
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H16N2O4/c17-10-6-8-3-4-9(7-10)16(8)13(18)12-11(14(19)20)2-1-5-15-12/h1-2,5,8-10,17H,3-4,6-7H2,(H,19,20)
InChIKeyCJQNZBZEKFECJE-UHFFFAOYSA-N
XLogP0.91
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid
CID 55237033
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 107524428
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-methoxy-3-pyridinyl)methanone
CID 63763799
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid
CID 63768610
2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63614455
pyridine-2,3-dicarboxylic acid
CID 1066
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 112624740
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
CID 63622054

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid (CID 63764553) is 2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is CJQNZBZEKFECJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-10-6-8-3-4-9(7-10)16(8)13(18)12-11(14(19)20)2-1-5-15-12/h1-2,5,8-10,17H,3-4,6-7H2,(H,19,20).
What are the key properties of 2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid?
2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 0.91, 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]octane-8-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63764553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).