2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile

C14H12N4O2 — CID 100924076

IUPAC2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile
SMILESCC(C#N)(c1ccccc1)c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C14H12N4O2/c1-14(9-15,10-5-3-2-4-6-10)12-8-7-11(18(19)20)13(16)17-12/h2-8H,1H3,(H2,16,17)
InChIKeyGADKNJOPXMHOPY-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.40
Rot. Bonds3

About 2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile

2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile (PubChem CID 100924076) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile.

Molecular Properties

Compound Name2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile
PubChem CID100924076
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile
SMILESCC(C#N)(c1ccccc1)c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C14H12N4O2/c1-14(9-15,10-5-3-2-4-6-10)12-8-7-11(18(19)20)13(16)17-12/h2-8H,1H3,(H2,16,17)
InChIKeyGADKNJOPXMHOPY-UHFFFAOYSA-N
XLogP2.40
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile?
The IUPAC name of 2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile (CID 100924076) is 2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile.
What is the SMILES notation for 2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile?
The canonical SMILES for 2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile is CC(C#N)(c1ccccc1)c1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile?
The InChIKey is GADKNJOPXMHOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-14(9-15,10-5-3-2-4-6-10)12-8-7-11(18(19)20)13(16)17-12/h2-8H,1H3,(H2,16,17).
What are the key properties of 2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile?
2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile has a molecular weight of 268.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile is sourced from PubChem (CID 100924076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).