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

C14H16N2O2 — CID 114247489

IUPAC6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CC3CC4CC3C2C4O)nc1
InChIInChI=1S/C14H16N2O2/c17-7-8-1-2-12(15-5-8)16-6-10-3-9-4-11(10)13(16)14(9)18/h1-2,5,7,9-11,13-14,18H,3-4,6H2
InChIKeyYIINXWNAPCOYGM-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.10
Rot. Bonds2

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

6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde (PubChem CID 114247489) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde
PubChem CID114247489
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CC3CC4CC3C2C4O)nc1
InChIInChI=1S/C14H16N2O2/c17-7-8-1-2-12(15-5-8)16-6-10-3-9-4-11(10)13(16)14(9)18/h1-2,5,7,9-11,13-14,18H,3-4,6H2
InChIKeyYIINXWNAPCOYGM-UHFFFAOYSA-N
XLogP1.10
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde (CID 114247489) is 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde is O=Cc1ccc(N2CC3CC4CC3C2C4O)nc1.
What is the InChIKey of 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde?
The InChIKey is YIINXWNAPCOYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-7-8-1-2-12(15-5-8)16-6-10-3-9-4-11(10)13(16)14(9)18/h1-2,5,7,9-11,13-14,18H,3-4,6H2.
What are the key properties of 6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde?
6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde has a molecular weight of 244.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 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-carbaldehyde is sourced from PubChem (CID 114247489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).