6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid

C14H16N2O4 — CID 63768610

IUPAC6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C14H16N2O4/c17-10-6-8-4-5-9(7-10)16(8)13(18)11-2-1-3-12(15-11)14(19)20/h1-3,8-10,17H,4-7H2,(H,19,20)
InChIKeyDTBYULFAKQLKCX-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.91
Rot. Bonds2

About 6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid

6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid (PubChem CID 63768610) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid
PubChem CID63768610
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C14H16N2O4/c17-10-6-8-4-5-9(7-10)16(8)13(18)11-2-1-3-12(15-11)14(19)20/h1-3,8-10,17H,4-7H2,(H,19,20)
InChIKeyDTBYULFAKQLKCX-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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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid (CID 63768610) is 6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is DTBYULFAKQLKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-10-6-8-4-5-9(7-10)16(8)13(18)11-2-1-3-12(15-11)14(19)20/h1-3,8-10,17H,4-7H2,(H,19,20).
What are the key properties of 6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid?
6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-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 6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 63768610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).