5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde

C13H12N2O2 — CID 79793881

IUPAC5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCCc2ccccn2)cn1
InChIInChI=1S/C13H12N2O2/c16-10-12-4-5-13(9-15-12)17-8-6-11-3-1-2-7-14-11/h1-5,7,9-10H,6,8H2
InChIKeyBJIGQOOCPDHNAC-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.91
Rot. Bonds5

About 5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde

5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde (PubChem CID 79793881) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde
PubChem CID79793881
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCCc2ccccn2)cn1
InChIInChI=1S/C13H12N2O2/c16-10-12-4-5-13(9-15-12)17-8-6-11-3-1-2-7-14-11/h1-5,7,9-10H,6,8H2
InChIKeyBJIGQOOCPDHNAC-UHFFFAOYSA-N
XLogP1.91
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.91
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

5-(3-phenylpropoxy)pyridine-2-carbaldehyde
CID 79794594
1-[5-(2-pyridin-2-ylethoxy)-2-pyridinyl]propan-2-amine
CID 79799428
(1R)-1-[5-(2-pyridin-2-ylethoxy)-2-pyridinyl]ethanamine
CID 83123919
1-[5-(2-pyridin-2-ylethoxy)-2-pyridinyl]ethanamine
CID 83123756
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde
CID 151666913
2-(2-pyridin-2-ylethoxy)acetaldehyde
CID 54223442
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde
CID 59805785
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
2-pyridin-2-ylethyl hydrogen sulfite
CID 57284965
2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
CID 60988228

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde (CID 79793881) is 5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde is O=Cc1ccc(OCCc2ccccn2)cn1.
What is the InChIKey of 5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde?
The InChIKey is BJIGQOOCPDHNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-10-12-4-5-13(9-15-12)17-8-6-11-3-1-2-7-14-11/h1-5,7,9-10H,6,8H2.
What are the key properties of 5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde?
5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde has a molecular weight of 228.25 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 79793881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).