5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium

C18H13N4O2+ — CID 175286557

IUPAC5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium
SMILESCc1c(-c2ccccc2)nc([N+](=O)[O-])c(-c2ccccc2)c1[N+]#N
InChIInChI=1S/C18H13N4O2/c1-12-16(14-10-6-3-7-11-14)20-18(22(23)24)15(17(12)21-19)13-8-4-2-5-9-13/h2-11H,1H3/q+1
InChIKeyIYCOHCYTDIBXIO-UHFFFAOYSA-N
MW317.33 g/mol
LogP5.12
Rot. Bonds3

About 5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium

5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium (PubChem CID 175286557) has the molecular formula C18H13N4O2+ and a molecular weight of 317.33 g/mol. Its IUPAC name is 5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium.

Molecular Properties

Compound Name5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium
PubChem CID175286557
Molecular FormulaC18H13N4O2+
Molecular Weight317.33 g/mol
Exact Mass317.10
IUPAC Name5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium
SMILESCc1c(-c2ccccc2)nc([N+](=O)[O-])c(-c2ccccc2)c1[N+]#N
InChIInChI=1S/C18H13N4O2/c1-12-16(14-10-6-3-7-11-14)20-18(22(23)24)15(17(12)21-19)13-8-4-2-5-9-13/h2-11H,1H3/q+1
InChIKeyIYCOHCYTDIBXIO-UHFFFAOYSA-N
XLogP5.12
TPSA84.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.33
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium 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 5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium?
The IUPAC name of 5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium (CID 175286557) is 5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium.
What is the SMILES notation for 5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium?
The canonical SMILES for 5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium is Cc1c(-c2ccccc2)nc([N+](=O)[O-])c(-c2ccccc2)c1[N+]#N.
What is the InChIKey of 5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium?
The InChIKey is IYCOHCYTDIBXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N4O2/c1-12-16(14-10-6-3-7-11-14)20-18(22(23)24)15(17(12)21-19)13-8-4-2-5-9-13/h2-11H,1H3/q+1.
What are the key properties of 5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium?
5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium has a molecular weight of 317.33 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium is sourced from PubChem (CID 175286557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).