2-(4-pyridin-3-ylphenoxy)acetaldehyde

C13H11NO2 — CID 90125264

IUPAC2-(4-pyridin-3-ylphenoxy)acetaldehyde
SMILESO=CCOc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C13H11NO2/c15-8-9-16-13-5-3-11(4-6-13)12-2-1-7-14-10-12/h1-8,10H,9H2
InChIKeyKFKVNOGBOMETEB-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.33
Rot. Bonds4

About 2-(4-pyridin-3-ylphenoxy)acetaldehyde

2-(4-pyridin-3-ylphenoxy)acetaldehyde (PubChem CID 90125264) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(4-pyridin-3-ylphenoxy)acetaldehyde.

Molecular Properties

Compound Name2-(4-pyridin-3-ylphenoxy)acetaldehyde
PubChem CID90125264
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-(4-pyridin-3-ylphenoxy)acetaldehyde
SMILESO=CCOc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C13H11NO2/c15-8-9-16-13-5-3-11(4-6-13)12-2-1-7-14-10-12/h1-8,10H,9H2
InChIKeyKFKVNOGBOMETEB-UHFFFAOYSA-N
XLogP2.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-azulen-6-ylpyridine
CID 86232079
3-(4-octoxyphenyl)pyridine
CID 90176946
5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
cyclopenta[c]azepine
CID 638010
(4-pyridin-3-ylphenyl) sulfite
CID 57298319
3-(4-propan-2-yloxyphenyl)pyridine
CID 91807940
3-[4-(4-fluorophenoxy)phenyl]pyridine
CID 91298278
CID 140826858
CID 140826858
bis(4-pyridin-3-ylphenyl)diazene
CID 101443558
3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]but-3-en-2-one
CID 139356628
N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858349
1-[2-(4-pyridin-3-ylphenoxy)ethoxy]-3-sulfanylbutan-2-one
CID 135175624

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-3-ylphenoxy)acetaldehyde?
The IUPAC name of 2-(4-pyridin-3-ylphenoxy)acetaldehyde (CID 90125264) is 2-(4-pyridin-3-ylphenoxy)acetaldehyde.
What is the SMILES notation for 2-(4-pyridin-3-ylphenoxy)acetaldehyde?
The canonical SMILES for 2-(4-pyridin-3-ylphenoxy)acetaldehyde is O=CCOc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 2-(4-pyridin-3-ylphenoxy)acetaldehyde?
The InChIKey is KFKVNOGBOMETEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-8-9-16-13-5-3-11(4-6-13)12-2-1-7-14-10-12/h1-8,10H,9H2.
What are the key properties of 2-(4-pyridin-3-ylphenoxy)acetaldehyde?
2-(4-pyridin-3-ylphenoxy)acetaldehyde has a molecular weight of 213.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-3-ylphenoxy)acetaldehyde is sourced from PubChem (CID 90125264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).