2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine

C13H10N2O2 — CID 5376482

IUPAC2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccccn2)cc1
InChIInChI=1S/C13H10N2O2/c16-15(17)13-8-5-11(6-9-13)4-7-12-3-1-2-10-14-12/h1-10H/b7-4+
InChIKeyRBWIGCZMJZUUCB-QPJJXVBHSA-N
MW226.24 g/mol
LogP3.16
Rot. Bonds3

About 2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine

2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine (PubChem CID 5376482) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine.

Molecular Properties

Compound Name2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine
PubChem CID5376482
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccccn2)cc1
InChIInChI=1S/C13H10N2O2/c16-15(17)13-8-5-11(6-9-13)4-7-12-3-1-2-10-14-12/h1-10H/b7-4+
InChIKeyRBWIGCZMJZUUCB-QPJJXVBHSA-N
XLogP3.16
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine 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-[(E)-2-(4-nitrophenyl)ethenyl]pyridine?
The IUPAC name of 2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine (CID 5376482) is 2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine.
What is the SMILES notation for 2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine?
The canonical SMILES for 2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine is O=[N+]([O-])c1ccc(/C=C/c2ccccn2)cc1.
What is the InChIKey of 2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine?
The InChIKey is RBWIGCZMJZUUCB-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-15(17)13-8-5-11(6-9-13)4-7-12-3-1-2-10-14-12/h1-10H/b7-4+.
What are the key properties of 2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine?
2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine has a molecular weight of 226.24 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine is sourced from PubChem (CID 5376482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).