2-(4-aminophenyl)-1-pyridin-4-ylethanone

C13H12N2O — CID 154541759

IUPAC2-(4-aminophenyl)-1-pyridin-4-ylethanone
SMILESNc1ccc(CC(=O)c2ccncc2)cc1
InChIInChI=1S/C13H12N2O/c14-12-3-1-10(2-4-12)9-13(16)11-5-7-15-8-6-11/h1-8H,9,14H2
InChIKeyAOIAILLRSIVAPW-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.09
Rot. Bonds3

About 2-(4-aminophenyl)-1-pyridin-4-ylethanone

2-(4-aminophenyl)-1-pyridin-4-ylethanone (PubChem CID 154541759) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-pyridin-4-ylethanone
PubChem CID154541759
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-(4-aminophenyl)-1-pyridin-4-ylethanone
SMILESNc1ccc(CC(=O)c2ccncc2)cc1
InChIInChI=1S/C13H12N2O/c14-12-3-1-10(2-4-12)9-13(16)11-5-7-15-8-6-11/h1-8H,9,14H2
InChIKeyAOIAILLRSIVAPW-UHFFFAOYSA-N
XLogP2.09
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-pyridin-4-ylethanone?
The IUPAC name of 2-(4-aminophenyl)-1-pyridin-4-ylethanone (CID 154541759) is 2-(4-aminophenyl)-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-pyridin-4-ylethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-pyridin-4-ylethanone is Nc1ccc(CC(=O)c2ccncc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-pyridin-4-ylethanone?
The InChIKey is AOIAILLRSIVAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-12-3-1-10(2-4-12)9-13(16)11-5-7-15-8-6-11/h1-8H,9,14H2.
What are the key properties of 2-(4-aminophenyl)-1-pyridin-4-ylethanone?
2-(4-aminophenyl)-1-pyridin-4-ylethanone has a molecular weight of 212.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-pyridin-4-ylethanone is sourced from PubChem (CID 154541759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).