2-(3-Methoxyphenyl)-5-nitro-3-phenylpyridine

HCID 67394359

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cccc(-c2ncc([N+](=O)[O-])cc2-c2ccccc2)c1
InChIKey: CBPVXAALLGRKGU-UHFFFAOYSA-N
Molecular formula: C18H14N2O3
Average molar mass: 306.3 g/mol
Monoisotopic mass: 306.10044231

Names & identifiers

Preferred name: 2-(3-Methoxyphenyl)-5-nitro-3-phenylpyridine
IUPAC: 2-(3-methoxyphenyl)-5-nitro-3-phenylpyridine

Names & synonyms

SCHEMBL2404670CBPVXAALLGRKGU-UHFFFAOYSA-N2-(3-methoxyphenyl)-5-nitro-3-phenylpyridine2-(3-Methoxyphenyl)-5-nitro-3-phenyl pyridine

Database identifiers

PubChem CID: 67394359

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 67.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 392

Related reactions

7 records

New reaction record

HRID 41992As productuspto-grants-2013_09

HRID 41993As reactantuspto-grants-2013_09

HRID 41996As productuspto-grants-2013_09

HRID 41997As reactantuspto-grants-2013_09

HRID 89771As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 698592As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2311795As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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