2-(2-anilino-3-pyridinyl)acetaldehyde

C13H12N2O — CID 87549349

IUPAC2-(2-anilino-3-pyridinyl)acetaldehyde
SMILESO=CCc1cccnc1Nc1ccccc1
InChIInChI=1S/C13H12N2O/c16-10-8-11-5-4-9-14-13(11)15-12-6-2-1-3-7-12/h1-7,9-10H,8H2,(H,14,15)
InChIKeyCLJYQLKAYCAZTM-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.57
Rot. Bonds4

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

2-(2-anilino-3-pyridinyl)acetaldehyde (PubChem CID 87549349) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2-anilino-3-pyridinyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-anilino-3-pyridinyl)acetaldehyde
PubChem CID87549349
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-(2-anilino-3-pyridinyl)acetaldehyde
SMILESO=CCc1cccnc1Nc1ccccc1
InChIInChI=1S/C13H12N2O/c16-10-8-11-5-4-9-14-13(11)15-12-6-2-1-3-7-12/h1-7,9-10H,8H2,(H,14,15)
InChIKeyCLJYQLKAYCAZTM-UHFFFAOYSA-N
XLogP2.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-anilino-3-pyridinyl)acetaldehyde?
The IUPAC name of 2-(2-anilino-3-pyridinyl)acetaldehyde (CID 87549349) is 2-(2-anilino-3-pyridinyl)acetaldehyde.
What is the SMILES notation for 2-(2-anilino-3-pyridinyl)acetaldehyde?
The canonical SMILES for 2-(2-anilino-3-pyridinyl)acetaldehyde is O=CCc1cccnc1Nc1ccccc1.
What is the InChIKey of 2-(2-anilino-3-pyridinyl)acetaldehyde?
The InChIKey is CLJYQLKAYCAZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-10-8-11-5-4-9-14-13(11)15-12-6-2-1-3-7-12/h1-7,9-10H,8H2,(H,14,15).
What are the key properties of 2-(2-anilino-3-pyridinyl)acetaldehyde?
2-(2-anilino-3-pyridinyl)acetaldehyde has a molecular weight of 212.25 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-3-pyridinyl)acetaldehyde is sourced from PubChem (CID 87549349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).