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

C14H16N2O2 — CID 114247488

IUPAC2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1N1CC2CC3CC2C1C3O
InChIInChI=1S/C14H16N2O2/c17-7-8-2-1-3-15-14(8)16-6-10-4-9-5-11(10)12(16)13(9)18/h1-3,7,9-13,18H,4-6H2
InChIKeyNSLFAQNREYGNIV-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.10
Rot. Bonds2

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

2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde (PubChem CID 114247488) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde
PubChem CID114247488
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1N1CC2CC3CC2C1C3O
InChIInChI=1S/C14H16N2O2/c17-7-8-2-1-3-15-14(8)16-6-10-4-9-5-11(10)12(16)13(9)18/h1-3,7,9-13,18H,4-6H2
InChIKeyNSLFAQNREYGNIV-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 2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde (CID 114247488) is 2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde is O=Cc1cccnc1N1CC2CC3CC2C1C3O.
What is the InChIKey of 2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde?
The InChIKey is NSLFAQNREYGNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-7-8-2-1-3-15-14(8)16-6-10-4-9-5-11(10)12(16)13(9)18/h1-3,7,9-13,18H,4-6H2.
What are the key properties of 2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde?
2-(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 2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 114247488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).