2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde

C8H9NO3 — CID 145341911

IUPAC2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde
SMILESO=CCOCc1cc[nH]c(=O)c1
InChIInChI=1S/C8H9NO3/c10-3-4-12-6-7-1-2-9-8(11)5-7/h1-3,5H,4,6H2,(H,9,11)
InChIKeyCIMFFHGJIMPFNE-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.09
Rot. Bonds4

About 2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde

2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde (PubChem CID 145341911) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde.

Molecular Properties

Compound Name2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde
PubChem CID145341911
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde
SMILESO=CCOCc1cc[nH]c(=O)c1
InChIInChI=1S/C8H9NO3/c10-3-4-12-6-7-1-2-9-8(11)5-7/h1-3,5H,4,6H2,(H,9,11)
InChIKeyCIMFFHGJIMPFNE-UHFFFAOYSA-N
XLogP0.09
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde?
The IUPAC name of 2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde (CID 145341911) is 2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde.
What is the SMILES notation for 2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde?
The canonical SMILES for 2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde is O=CCOCc1cc[nH]c(=O)c1.
What is the InChIKey of 2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde?
The InChIKey is CIMFFHGJIMPFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-3-4-12-6-7-1-2-9-8(11)5-7/h1-3,5H,4,6H2,(H,9,11).
What are the key properties of 2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde?
2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde has a molecular weight of 167.16 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1H-pyridin-4-yl)methoxy]acetaldehyde is sourced from PubChem (CID 145341911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).