2-(2-phenyl-3-pyridinyl)acetaldehyde

C13H11NO — CID 159707557

IUPAC2-(2-phenyl-3-pyridinyl)acetaldehyde
SMILESO=CCc1cccnc1-c1ccccc1
InChIInChI=1S/C13H11NO/c15-10-8-12-7-4-9-14-13(12)11-5-2-1-3-6-11/h1-7,9-10H,8H2
InChIKeySVABHCWVQCSYOH-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.49
Rot. Bonds3

About 2-(2-phenyl-3-pyridinyl)acetaldehyde

2-(2-phenyl-3-pyridinyl)acetaldehyde (PubChem CID 159707557) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(2-phenyl-3-pyridinyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-phenyl-3-pyridinyl)acetaldehyde
PubChem CID159707557
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name2-(2-phenyl-3-pyridinyl)acetaldehyde
SMILESO=CCc1cccnc1-c1ccccc1
InChIInChI=1S/C13H11NO/c15-10-8-12-7-4-9-14-13(12)11-5-2-1-3-6-11/h1-7,9-10H,8H2
InChIKeySVABHCWVQCSYOH-UHFFFAOYSA-N
XLogP2.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.49
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-3-pyridinyl)acetaldehyde?
The IUPAC name of 2-(2-phenyl-3-pyridinyl)acetaldehyde (CID 159707557) is 2-(2-phenyl-3-pyridinyl)acetaldehyde.
What is the SMILES notation for 2-(2-phenyl-3-pyridinyl)acetaldehyde?
The canonical SMILES for 2-(2-phenyl-3-pyridinyl)acetaldehyde is O=CCc1cccnc1-c1ccccc1.
What is the InChIKey of 2-(2-phenyl-3-pyridinyl)acetaldehyde?
The InChIKey is SVABHCWVQCSYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c15-10-8-12-7-4-9-14-13(12)11-5-2-1-3-6-11/h1-7,9-10H,8H2.
What are the key properties of 2-(2-phenyl-3-pyridinyl)acetaldehyde?
2-(2-phenyl-3-pyridinyl)acetaldehyde has a molecular weight of 197.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-3-pyridinyl)acetaldehyde is sourced from PubChem (CID 159707557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).