2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile

C13H11N3 — CID 10536387

IUPAC2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile
SMILESN#CC(c1cccc(N)c1)c1ccccn1
InChIInChI=1S/C13H11N3/c14-9-12(13-6-1-2-7-16-13)10-4-3-5-11(15)8-10/h1-8,12H,15H2
InChIKeyXFWHSYOHDFBSSJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.32
Rot. Bonds2

About 2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile

2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile (PubChem CID 10536387) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile.

Molecular Properties

Compound Name2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile
PubChem CID10536387
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile
SMILESN#CC(c1cccc(N)c1)c1ccccn1
InChIInChI=1S/C13H11N3/c14-9-12(13-6-1-2-7-16-13)10-4-3-5-11(15)8-10/h1-8,12H,15H2
InChIKeyXFWHSYOHDFBSSJ-UHFFFAOYSA-N
XLogP2.32
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile?
The IUPAC name of 2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile (CID 10536387) is 2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile.
What is the SMILES notation for 2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile?
The canonical SMILES for 2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile is N#CC(c1cccc(N)c1)c1ccccn1.
What is the InChIKey of 2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile?
The InChIKey is XFWHSYOHDFBSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-9-12(13-6-1-2-7-16-13)10-4-3-5-11(15)8-10/h1-8,12H,15H2.
What are the key properties of 2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile?
2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile has a molecular weight of 209.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile is sourced from PubChem (CID 10536387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).