6-(2-phenylphenoxy)pyridine-3-carbaldehyde

C18H13NO2 — CID 80631698

IUPAC6-(2-phenylphenoxy)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2ccccc2-c2ccccc2)nc1
InChIInChI=1S/C18H13NO2/c20-13-14-10-11-18(19-12-14)21-17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-13H
InChIKeyUVQIQUFGXNJRMO-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.35
Rot. Bonds4

About 6-(2-phenylphenoxy)pyridine-3-carbaldehyde

6-(2-phenylphenoxy)pyridine-3-carbaldehyde (PubChem CID 80631698) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-(2-phenylphenoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2-phenylphenoxy)pyridine-3-carbaldehyde
PubChem CID80631698
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name6-(2-phenylphenoxy)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2ccccc2-c2ccccc2)nc1
InChIInChI=1S/C18H13NO2/c20-13-14-10-11-18(19-12-14)21-17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-13H
InChIKeyUVQIQUFGXNJRMO-UHFFFAOYSA-N
XLogP4.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.35
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 6-(2-phenylphenoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-(2-phenylphenoxy)pyridine-3-carbaldehyde (CID 80631698) is 6-(2-phenylphenoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2-phenylphenoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(2-phenylphenoxy)pyridine-3-carbaldehyde is O=Cc1ccc(Oc2ccccc2-c2ccccc2)nc1.
What is the InChIKey of 6-(2-phenylphenoxy)pyridine-3-carbaldehyde?
The InChIKey is UVQIQUFGXNJRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-13-14-10-11-18(19-12-14)21-17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-13H.
What are the key properties of 6-(2-phenylphenoxy)pyridine-3-carbaldehyde?
6-(2-phenylphenoxy)pyridine-3-carbaldehyde has a molecular weight of 275.31 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylphenoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 80631698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).