2-pyridin-2-yloxypropanal

C8H9NO2 — CID 173353438

IUPAC2-pyridin-2-yloxypropanal
SMILESCC(C=O)Oc1ccccn1
InChIInChI=1S/C8H9NO2/c1-7(6-10)11-8-4-2-3-5-9-8/h2-7H,1H3
InChIKeyFTBXZEIHUVCEER-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.05
Rot. Bonds3

About 2-pyridin-2-yloxypropanal

2-pyridin-2-yloxypropanal (PubChem CID 173353438) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-pyridin-2-yloxypropanal.

Molecular Properties

Compound Name2-pyridin-2-yloxypropanal
PubChem CID173353438
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-pyridin-2-yloxypropanal
SMILESCC(C=O)Oc1ccccn1
InChIInChI=1S/C8H9NO2/c1-7(6-10)11-8-4-2-3-5-9-8/h2-7H,1H3
InChIKeyFTBXZEIHUVCEER-UHFFFAOYSA-N
XLogP1.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.05
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

(2R)-2-pyridin-2-yloxypropan-1-amine
CID 51684255
2-pentan-3-yloxypyridine
CID 45091035
2-methoxypyridine;methyl formate
CID 163953366
2-(2-methoxyphenoxy)propanal
CID 123413169
2-(1-phenoxypropan-2-yloxy)pyridine
CID 67893782
ethane;methanone;2-methoxypyridine;2-methylpropane;uranium
CID 171538339
2-methoxypyridine
CID 71774587
formic acid;pyridin-2-yl acetate
CID 174913305
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine
CID 118647854
2-methoxypyridine;hydrobromide
CID 157413143
2-pyridin-2-yloxypentanoic acid
CID 69474855
ethane;methane;2-methoxypyridine
CID 142448470

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yloxypropanal?
The IUPAC name of 2-pyridin-2-yloxypropanal (CID 173353438) is 2-pyridin-2-yloxypropanal.
What is the SMILES notation for 2-pyridin-2-yloxypropanal?
The canonical SMILES for 2-pyridin-2-yloxypropanal is CC(C=O)Oc1ccccn1.
What is the InChIKey of 2-pyridin-2-yloxypropanal?
The InChIKey is FTBXZEIHUVCEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-7(6-10)11-8-4-2-3-5-9-8/h2-7H,1H3.
What are the key properties of 2-pyridin-2-yloxypropanal?
2-pyridin-2-yloxypropanal has a molecular weight of 151.16 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yloxypropanal is sourced from PubChem (CID 173353438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).