5-phenylmethoxypyridine-3-carbaldehyde

C13H11NO2 — CID 11218133

IUPAC5-phenylmethoxypyridine-3-carbaldehyde
SMILESO=Cc1cncc(OCc2ccccc2)c1
InChIInChI=1S/C13H11NO2/c15-9-12-6-13(8-14-7-12)16-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeySCOQOUXGEUQUCY-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.47
Rot. Bonds4

About 5-phenylmethoxypyridine-3-carbaldehyde

5-phenylmethoxypyridine-3-carbaldehyde (PubChem CID 11218133) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-phenylmethoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-phenylmethoxypyridine-3-carbaldehyde
PubChem CID11218133
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name5-phenylmethoxypyridine-3-carbaldehyde
SMILESO=Cc1cncc(OCc2ccccc2)c1
InChIInChI=1S/C13H11NO2/c15-9-12-6-13(8-14-7-12)16-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeySCOQOUXGEUQUCY-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxypyridine-3-carbaldehyde?
The IUPAC name of 5-phenylmethoxypyridine-3-carbaldehyde (CID 11218133) is 5-phenylmethoxypyridine-3-carbaldehyde.
What is the SMILES notation for 5-phenylmethoxypyridine-3-carbaldehyde?
The canonical SMILES for 5-phenylmethoxypyridine-3-carbaldehyde is O=Cc1cncc(OCc2ccccc2)c1.
What is the InChIKey of 5-phenylmethoxypyridine-3-carbaldehyde?
The InChIKey is SCOQOUXGEUQUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-9-12-6-13(8-14-7-12)16-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 5-phenylmethoxypyridine-3-carbaldehyde?
5-phenylmethoxypyridine-3-carbaldehyde has a molecular weight of 213.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxypyridine-3-carbaldehyde is sourced from PubChem (CID 11218133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).