6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde

C11H12N2O2 — CID 130894479

IUPAC6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CC3CC2CO3)nc1
InChIInChI=1S/C11H12N2O2/c14-6-8-1-2-11(12-4-8)13-5-10-3-9(13)7-15-10/h1-2,4,6,9-10H,3,5,7H2
InChIKeyXMVRIBDEHZEUKN-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.87
Rot. Bonds2

About 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde

6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde (PubChem CID 130894479) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde
PubChem CID130894479
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CC3CC2CO3)nc1
InChIInChI=1S/C11H12N2O2/c14-6-8-1-2-11(12-4-8)13-5-10-3-9(13)7-15-10/h1-2,4,6,9-10H,3,5,7H2
InChIKeyXMVRIBDEHZEUKN-UHFFFAOYSA-N
XLogP0.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)benzaldehyde
CID 84777224
2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazole-5-carbaldehyde
CID 130769878
5-[5-(bromomethyl)pyrimidin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 130769881
5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 121020713
4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine
CID 131187094
6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)pyridine-3-carbaldehyde
CID 114247489
(1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 175860309
5-[6-(chloromethyl)-2-pyridinyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 131186257
5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 163235773
5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 126853540
2-[6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 172861400
6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde
CID 165460442

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde (CID 130894479) is 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde is O=Cc1ccc(N2CC3CC2CO3)nc1.
What is the InChIKey of 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde?
The InChIKey is XMVRIBDEHZEUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-6-8-1-2-11(12-4-8)13-5-10-3-9(13)7-15-10/h1-2,4,6,9-10H,3,5,7H2.
What are the key properties of 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde?
6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde has a molecular weight of 204.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 130894479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).