4-pyridin-3-yloxybenzaldehyde

C12H9NO2 — CID 4677419

IUPAC4-pyridin-3-yloxybenzaldehyde
SMILESO=Cc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C12H9NO2/c14-9-10-3-5-11(6-4-10)15-12-2-1-7-13-8-12/h1-9H
InChIKeyVNZCKMVWWJJZIL-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.69
Rot. Bonds3

About 4-pyridin-3-yloxybenzaldehyde

4-pyridin-3-yloxybenzaldehyde (PubChem CID 4677419) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-pyridin-3-yloxybenzaldehyde.

Molecular Properties

Compound Name4-pyridin-3-yloxybenzaldehyde
PubChem CID4677419
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name4-pyridin-3-yloxybenzaldehyde
SMILESO=Cc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C12H9NO2/c14-9-10-3-5-11(6-4-10)15-12-2-1-7-13-8-12/h1-9H
InChIKeyVNZCKMVWWJJZIL-UHFFFAOYSA-N
XLogP2.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.69
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-pyridin-3-yloxybenzaldehyde?
The IUPAC name of 4-pyridin-3-yloxybenzaldehyde (CID 4677419) is 4-pyridin-3-yloxybenzaldehyde.
What is the SMILES notation for 4-pyridin-3-yloxybenzaldehyde?
The canonical SMILES for 4-pyridin-3-yloxybenzaldehyde is O=Cc1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 4-pyridin-3-yloxybenzaldehyde?
The InChIKey is VNZCKMVWWJJZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-9-10-3-5-11(6-4-10)15-12-2-1-7-13-8-12/h1-9H.
What are the key properties of 4-pyridin-3-yloxybenzaldehyde?
4-pyridin-3-yloxybenzaldehyde has a molecular weight of 199.21 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yloxybenzaldehyde is sourced from PubChem (CID 4677419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).