4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde

C18H15N3O3 — CID 151666913

IUPAC4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde
SMILESO=Cc1ccc(Oc2nccnc2OCCc2ccccn2)cc1
InChIInChI=1S/C18H15N3O3/c22-13-14-4-6-16(7-5-14)24-18-17(20-10-11-21-18)23-12-8-15-3-1-2-9-19-15/h1-7,9-11,13H,8,12H2
InChIKeyQXSJYQMKSBBPMZ-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.10
Rot. Bonds7

About 4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde

4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde (PubChem CID 151666913) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde.

Molecular Properties

Compound Name4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde
PubChem CID151666913
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde
SMILESO=Cc1ccc(Oc2nccnc2OCCc2ccccn2)cc1
InChIInChI=1S/C18H15N3O3/c22-13-14-4-6-16(7-5-14)24-18-17(20-10-11-21-18)23-12-8-15-3-1-2-9-19-15/h1-7,9-11,13H,8,12H2
InChIKeyQXSJYQMKSBBPMZ-UHFFFAOYSA-N
XLogP3.10
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxybenzaldehyde
CID 150215382
5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde
CID 79793881
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
2-(2-pyridin-2-ylethoxy)acetaldehyde
CID 54223442
3-chloro-2-(2-pyridin-2-ylethoxy)pyridine-4-carboxylic acid
CID 107063375
2-[3-(4-phenoxyphenoxy)propyl]pyridine
CID 14154439
5-bromo-4-(2-pyridin-2-ylethoxy)pyrimidine
CID 66320696
5-pyridin-2-ylpentanal
CID 13416615
6-methyl-2-(2-pyridin-2-ylethoxy)pyridine-3-carboxylic acid
CID 62701733
4-[3,3-difluoro-1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzaldehyde
CID 88984289
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde?
The IUPAC name of 4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde (CID 151666913) is 4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde.
What is the SMILES notation for 4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde?
The canonical SMILES for 4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde is O=Cc1ccc(Oc2nccnc2OCCc2ccccn2)cc1.
What is the InChIKey of 4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde?
The InChIKey is QXSJYQMKSBBPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-13-14-4-6-16(7-5-14)24-18-17(20-10-11-21-18)23-12-8-15-3-1-2-9-19-15/h1-7,9-11,13H,8,12H2.
What are the key properties of 4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde?
4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde has a molecular weight of 321.34 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-pyridin-2-ylethoxy)pyrazin-2-yl]oxybenzaldehyde is sourced from PubChem (CID 151666913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).