4-(6-methoxy-2-pyridinyl)benzaldehyde

C13H11NO2 — CID 3675823

IUPAC4-(6-methoxy-2-pyridinyl)benzaldehyde
SMILESCOc1cccc(-c2ccc(C=O)cc2)n1
InChIInChI=1S/C13H11NO2/c1-16-13-4-2-3-12(14-13)11-7-5-10(9-15)6-8-11/h2-9H,1H3
InChIKeyOQYLQLAVBZSSDL-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.57
Rot. Bonds3

About 4-(6-methoxy-2-pyridinyl)benzaldehyde

4-(6-methoxy-2-pyridinyl)benzaldehyde (PubChem CID 3675823) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(6-methoxy-2-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name4-(6-methoxy-2-pyridinyl)benzaldehyde
PubChem CID3675823
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name4-(6-methoxy-2-pyridinyl)benzaldehyde
SMILESCOc1cccc(-c2ccc(C=O)cc2)n1
InChIInChI=1S/C13H11NO2/c1-16-13-4-2-3-12(14-13)11-7-5-10(9-15)6-8-11/h2-9H,1H3
InChIKeyOQYLQLAVBZSSDL-UHFFFAOYSA-N
XLogP2.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.57
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 4-(6-methoxy-2-pyridinyl)benzaldehyde?
The IUPAC name of 4-(6-methoxy-2-pyridinyl)benzaldehyde (CID 3675823) is 4-(6-methoxy-2-pyridinyl)benzaldehyde.
What is the SMILES notation for 4-(6-methoxy-2-pyridinyl)benzaldehyde?
The canonical SMILES for 4-(6-methoxy-2-pyridinyl)benzaldehyde is COc1cccc(-c2ccc(C=O)cc2)n1.
What is the InChIKey of 4-(6-methoxy-2-pyridinyl)benzaldehyde?
The InChIKey is OQYLQLAVBZSSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-16-13-4-2-3-12(14-13)11-7-5-10(9-15)6-8-11/h2-9H,1H3.
What are the key properties of 4-(6-methoxy-2-pyridinyl)benzaldehyde?
4-(6-methoxy-2-pyridinyl)benzaldehyde has a molecular weight of 213.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2-pyridinyl)benzaldehyde is sourced from PubChem (CID 3675823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).