5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde

C14H13NO3 — CID 16769564

IUPAC5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde
SMILESCOc1ccc(OCc2ccccn2)c(C=O)c1
InChIInChI=1S/C14H13NO3/c1-17-13-5-6-14(11(8-13)9-16)18-10-12-4-2-3-7-15-12/h2-9H,10H2,1H3
InChIKeyPZJIEYBOHZIPIN-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.48
Rot. Bonds5

About 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde

5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde (PubChem CID 16769564) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde
PubChem CID16769564
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde
SMILESCOc1ccc(OCc2ccccn2)c(C=O)c1
InChIInChI=1S/C14H13NO3/c1-17-13-5-6-14(11(8-13)9-16)18-10-12-4-2-3-7-15-12/h2-9H,10H2,1H3
InChIKeyPZJIEYBOHZIPIN-UHFFFAOYSA-N
XLogP2.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde?
The IUPAC name of 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde (CID 16769564) is 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde is COc1ccc(OCc2ccccn2)c(C=O)c1.
What is the InChIKey of 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde?
The InChIKey is PZJIEYBOHZIPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-13-5-6-14(11(8-13)9-16)18-10-12-4-2-3-7-15-12/h2-9H,10H2,1H3.
What are the key properties of 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde?
5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde has a molecular weight of 243.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 16769564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).