5-(4-propylphenoxy)pyridine-3-carbaldehyde

C15H15NO2 — CID 113469461

IUPAC5-(4-propylphenoxy)pyridine-3-carbaldehyde
SMILESCCCc1ccc(Oc2cncc(C=O)c2)cc1
InChIInChI=1S/C15H15NO2/c1-2-3-12-4-6-14(7-5-12)18-15-8-13(11-17)9-16-10-15/h4-11H,2-3H2,1H3
InChIKeyDLMSUODKNLOEQS-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.64
Rot. Bonds5

About 5-(4-propylphenoxy)pyridine-3-carbaldehyde

5-(4-propylphenoxy)pyridine-3-carbaldehyde (PubChem CID 113469461) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(4-propylphenoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(4-propylphenoxy)pyridine-3-carbaldehyde
PubChem CID113469461
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name5-(4-propylphenoxy)pyridine-3-carbaldehyde
SMILESCCCc1ccc(Oc2cncc(C=O)c2)cc1
InChIInChI=1S/C15H15NO2/c1-2-3-12-4-6-14(7-5-12)18-15-8-13(11-17)9-16-10-15/h4-11H,2-3H2,1H3
InChIKeyDLMSUODKNLOEQS-UHFFFAOYSA-N
XLogP3.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-butoxypyridine-3-carbaldehyde
CID 89111461
4-(4-butylphenoxy)benzaldehyde
CID 10824839
5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 113469448
4-(4-hexylphenoxy)benzaldehyde
CID 142415162
5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde
CID 103175120
5-(4-butylphenoxy)-N-methylpyridin-3-amine
CID 104536970
6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 107709147
5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 113469459
3-[4-(4-propylphenoxy)phenyl]prop-2-enoic acid
CID 20989085
6-(4-propylphenoxy)pyrazine-2-carboxylic acid
CID 66456710
4-chloro-2-(4-propylphenoxy)-1,3-thiazole-5-carbaldehyde
CID 80687178
6-(4-ethylphenoxy)pyridine-3-carbaldehyde
CID 80631614

Frequently Asked Questions

What is the IUPAC name of 5-(4-propylphenoxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-(4-propylphenoxy)pyridine-3-carbaldehyde (CID 113469461) is 5-(4-propylphenoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(4-propylphenoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(4-propylphenoxy)pyridine-3-carbaldehyde is CCCc1ccc(Oc2cncc(C=O)c2)cc1.
What is the InChIKey of 5-(4-propylphenoxy)pyridine-3-carbaldehyde?
The InChIKey is DLMSUODKNLOEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-3-12-4-6-14(7-5-12)18-15-8-13(11-17)9-16-10-15/h4-11H,2-3H2,1H3.
What are the key properties of 5-(4-propylphenoxy)pyridine-3-carbaldehyde?
5-(4-propylphenoxy)pyridine-3-carbaldehyde has a molecular weight of 241.29 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylphenoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 113469461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).