2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile

C13H11N3 — CID 131378393

IUPAC2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile
SMILESN#CCc1cc(-c2ccccc2)cc(N)n1
InChIInChI=1S/C13H11N3/c14-7-6-12-8-11(9-13(15)16-12)10-4-2-1-3-5-10/h1-5,8-9H,6H2,(H2,15,16)
InChIKeyRZIQCBFCOBANIR-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.40
Rot. Bonds2

About 2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile

2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile (PubChem CID 131378393) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile
PubChem CID131378393
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile
SMILESN#CCc1cc(-c2ccccc2)cc(N)n1
InChIInChI=1S/C13H11N3/c14-7-6-12-8-11(9-13(15)16-12)10-4-2-1-3-5-10/h1-5,8-9H,6H2,(H2,15,16)
InChIKeyRZIQCBFCOBANIR-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile (CID 131378393) is 2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile is N#CCc1cc(-c2ccccc2)cc(N)n1.
What is the InChIKey of 2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile?
The InChIKey is RZIQCBFCOBANIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-7-6-12-8-11(9-13(15)16-12)10-4-2-1-3-5-10/h1-5,8-9H,6H2,(H2,15,16).
What are the key properties of 2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile?
2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile has a molecular weight of 209.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile is sourced from PubChem (CID 131378393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).