4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde

C13H11NO3 — CID 5140306

IUPAC4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde
SMILESO=Cc1cc(=O)c(OCc2ccccc2)c[nH]1
InChIInChI=1S/C13H11NO3/c15-8-11-6-12(16)13(7-14-11)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,16)
InChIKeyYRFXMWHBGZBADV-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.77
Rot. Bonds4

About 4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde

4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde (PubChem CID 5140306) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde
PubChem CID5140306
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde
SMILESO=Cc1cc(=O)c(OCc2ccccc2)c[nH]1
InChIInChI=1S/C13H11NO3/c15-8-11-6-12(16)13(7-14-11)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,16)
InChIKeyYRFXMWHBGZBADV-UHFFFAOYSA-N
XLogP1.77
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Benzyloxy)-2-methylpyridin-4(1H)-one
CID 2726416
5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one
CID 2801564
3-[(4-Chlorobenzyl)oxy]-2-methylpyridin-4-ol
CID 2767094
3-(Benzyloxy)-1,2-dimethylpyridin-4(1H)-one
CID 14956281
2-(Aminomethyl)-3-(benzyloxy)-1,6-dimethyl-1,4-dihydropyridin-4-one
CID 11139785
1-Ethyl-2-methyl-3-phenylmethoxypyridin-4-one
CID 14956282
1-(2'-Aminoethyl)-3-benzyloxy-2-methyl-4-pyridinone
CID 44328255
3-(Benzyloxy)-1,4-dihydropyridin-4-one
CID 18997168
2-Methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one
CID 14956286
2-(5-((2-fluorobenzyl)oxy)-2-methyl-4-oxopyridin-1(4H)-yl)-N-isopropylacetamide
CID 16852791
5-((4-fluorobenzyl)oxy)-N,1-dimethyl-4-oxo-1,4-dihydropyridine-2-carboxamide
CID 42441092
3-(Benzyloxy)pyridin-2-ol
CID 15666452

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde?
The IUPAC name of 4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde (CID 5140306) is 4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde is O=Cc1cc(=O)c(OCc2ccccc2)c[nH]1.
What is the InChIKey of 4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde?
The InChIKey is YRFXMWHBGZBADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-8-11-6-12(16)13(7-14-11)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,16).
What are the key properties of 4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde?
4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde has a molecular weight of 229.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5-phenylmethoxy-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 5140306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).