2-(2-phenyl-4-pyridinyl)butanal

C15H15NO — CID 173202793

IUPAC2-(2-phenyl-4-pyridinyl)butanal
SMILESCCC(C=O)c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C15H15NO/c1-2-12(11-17)14-8-9-16-15(10-14)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyKOQZCRVBEQMXFJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.44
Rot. Bonds4

About 2-(2-phenyl-4-pyridinyl)butanal

2-(2-phenyl-4-pyridinyl)butanal (PubChem CID 173202793) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2-phenyl-4-pyridinyl)butanal.

Molecular Properties

Compound Name2-(2-phenyl-4-pyridinyl)butanal
PubChem CID173202793
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-(2-phenyl-4-pyridinyl)butanal
SMILESCCC(C=O)c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C15H15NO/c1-2-12(11-17)14-8-9-16-15(10-14)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyKOQZCRVBEQMXFJ-UHFFFAOYSA-N
XLogP3.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-4-pyridinyl)butanal?
The IUPAC name of 2-(2-phenyl-4-pyridinyl)butanal (CID 173202793) is 2-(2-phenyl-4-pyridinyl)butanal.
What is the SMILES notation for 2-(2-phenyl-4-pyridinyl)butanal?
The canonical SMILES for 2-(2-phenyl-4-pyridinyl)butanal is CCC(C=O)c1ccnc(-c2ccccc2)c1.
What is the InChIKey of 2-(2-phenyl-4-pyridinyl)butanal?
The InChIKey is KOQZCRVBEQMXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-12(11-17)14-8-9-16-15(10-14)13-6-4-3-5-7-13/h3-12H,2H2,1H3.
What are the key properties of 2-(2-phenyl-4-pyridinyl)butanal?
2-(2-phenyl-4-pyridinyl)butanal has a molecular weight of 225.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-4-pyridinyl)butanal is sourced from PubChem (CID 173202793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).