2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde

C12H9NO2 — CID 82521365

IUPAC2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C12H9NO2/c14-8-10-6-7-11(13-12(10)15)9-4-2-1-3-5-9/h1-8H,(H,13,15)
InChIKeyUNLIYDHMCVEOMC-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.85
Rot. Bonds2

About 2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde

2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde (PubChem CID 82521365) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde
PubChem CID82521365
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C12H9NO2/c14-8-10-6-7-11(13-12(10)15)9-4-2-1-3-5-9/h1-8H,(H,13,15)
InChIKeyUNLIYDHMCVEOMC-UHFFFAOYSA-N
XLogP1.85
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
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-oxo-6-phenyl-1H-pyridine-3-carbaldehyde?
The IUPAC name of 2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde (CID 82521365) is 2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde is O=Cc1ccc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde?
The InChIKey is UNLIYDHMCVEOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-8-10-6-7-11(13-12(10)15)9-4-2-1-3-5-9/h1-8H,(H,13,15).
What are the key properties of 2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde?
2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde has a molecular weight of 199.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 82521365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).