2-[3-[(E)-2-nitroethenyl]phenyl]pyridine

C13H10N2O2 — CID 69378168

IUPAC2-[3-[(E)-2-nitroethenyl]phenyl]pyridine
SMILESO=[N+]([O-])/C=C/c1cccc(-c2ccccn2)c1
InChIInChI=1S/C13H10N2O2/c16-15(17)9-7-11-4-3-5-12(10-11)13-6-1-2-8-14-13/h1-10H/b9-7+
InChIKeyQDMWTNUZGRPLNU-VQHVLOKHSA-N
MW226.24 g/mol
LogP3.00
Rot. Bonds3

About 2-[3-[(E)-2-nitroethenyl]phenyl]pyridine

2-[3-[(E)-2-nitroethenyl]phenyl]pyridine (PubChem CID 69378168) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[3-[(E)-2-nitroethenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[(E)-2-nitroethenyl]phenyl]pyridine
PubChem CID69378168
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name2-[3-[(E)-2-nitroethenyl]phenyl]pyridine
SMILESO=[N+]([O-])/C=C/c1cccc(-c2ccccn2)c1
InChIInChI=1S/C13H10N2O2/c16-15(17)9-7-11-4-3-5-12(10-11)13-6-1-2-8-14-13/h1-10H/b9-7+
InChIKeyQDMWTNUZGRPLNU-VQHVLOKHSA-N
XLogP3.00
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 ≤ 53.00
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-2-nitroethenyl]phenyl]pyridine?
The IUPAC name of 2-[3-[(E)-2-nitroethenyl]phenyl]pyridine (CID 69378168) is 2-[3-[(E)-2-nitroethenyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[(E)-2-nitroethenyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[(E)-2-nitroethenyl]phenyl]pyridine is O=[N+]([O-])/C=C/c1cccc(-c2ccccn2)c1.
What is the InChIKey of 2-[3-[(E)-2-nitroethenyl]phenyl]pyridine?
The InChIKey is QDMWTNUZGRPLNU-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-15(17)9-7-11-4-3-5-12(10-11)13-6-1-2-8-14-13/h1-10H/b9-7+.
What are the key properties of 2-[3-[(E)-2-nitroethenyl]phenyl]pyridine?
2-[3-[(E)-2-nitroethenyl]phenyl]pyridine has a molecular weight of 226.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-2-nitroethenyl]phenyl]pyridine is sourced from PubChem (CID 69378168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).