6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde

C15H13NO2 — CID 118113115

IUPAC6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2ccc(C3CC3)cc2)nc1
InChIInChI=1S/C15H13NO2/c17-10-11-1-8-15(16-9-11)18-14-6-4-13(5-7-14)12-2-3-12/h1,4-10,12H,2-3H2
InChIKeyQGOFFZZUGLDCJP-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.56
Rot. Bonds4

About 6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde

6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde (PubChem CID 118113115) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde
PubChem CID118113115
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2ccc(C3CC3)cc2)nc1
InChIInChI=1S/C15H13NO2/c17-10-11-1-8-15(16-9-11)18-14-6-4-13(5-7-14)12-2-3-12/h1,4-10,12H,2-3H2
InChIKeyQGOFFZZUGLDCJP-UHFFFAOYSA-N
XLogP3.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.56
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-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde (CID 118113115) is 6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde is O=Cc1ccc(Oc2ccc(C3CC3)cc2)nc1.
What is the InChIKey of 6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde?
The InChIKey is QGOFFZZUGLDCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-10-11-1-8-15(16-9-11)18-14-6-4-13(5-7-14)12-2-3-12/h1,4-10,12H,2-3H2.
What are the key properties of 6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde?
6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde has a molecular weight of 239.27 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 118113115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).