6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde

C17H15NO — CID 154628718

IUPAC6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(C#CCCCc2ccccc2)n1
InChIInChI=1S/C17H15NO/c19-14-17-13-7-12-16(18-17)11-6-2-5-10-15-8-3-1-4-9-15/h1,3-4,7-9,12-14H,2,5,10H2
InChIKeyOIGQUSQANOVVOR-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.27
Rot. Bonds4

About 6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde

6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde (PubChem CID 154628718) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde
PubChem CID154628718
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(C#CCCCc2ccccc2)n1
InChIInChI=1S/C17H15NO/c19-14-17-13-7-12-16(18-17)11-6-2-5-10-15-8-3-1-4-9-15/h1,3-4,7-9,12-14H,2,5,10H2
InChIKeyOIGQUSQANOVVOR-UHFFFAOYSA-N
XLogP3.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde (CID 154628718) is 6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde is O=Cc1cccc(C#CCCCc2ccccc2)n1.
What is the InChIKey of 6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde?
The InChIKey is OIGQUSQANOVVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c19-14-17-13-7-12-16(18-17)11-6-2-5-10-15-8-3-1-4-9-15/h1,3-4,7-9,12-14H,2,5,10H2.
What are the key properties of 6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde?
6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde has a molecular weight of 249.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 154628718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).