1-diazo-2H-naphthalene;nitrobenzene

C16H13N3O2 — CID 175312965

IUPAC1-diazo-2H-naphthalene;nitrobenzene
SMILESO=[N+]([O-])c1ccccc1.[N-]=[N+]=C1CC=Cc2ccccc21
InChIInChI=1S/C10H8N2.C6H5NO2/c11-12-10-7-3-5-8-4-1-2-6-9(8)10;8-7(9)6-4-2-1-3-5-6/h1-6H,7H2;1-5H
InChIKeyHTMYBGSQUBLUFQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.72
Rot. Bonds1

About 1-diazo-2H-naphthalene;nitrobenzene

1-diazo-2H-naphthalene;nitrobenzene (PubChem CID 175312965) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-diazo-2H-naphthalene;nitrobenzene.

Molecular Properties

Compound Name1-diazo-2H-naphthalene;nitrobenzene
PubChem CID175312965
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name1-diazo-2H-naphthalene;nitrobenzene
SMILESO=[N+]([O-])c1ccccc1.[N-]=[N+]=C1CC=Cc2ccccc21
InChIInChI=1S/C10H8N2.C6H5NO2/c11-12-10-7-3-5-8-4-1-2-6-9(8)10;8-7(9)6-4-2-1-3-5-6/h1-6H,7H2;1-5H
InChIKeyHTMYBGSQUBLUFQ-UHFFFAOYSA-N
XLogP3.72
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-diazo-2H-naphthalene;nitrobenzene?
The IUPAC name of 1-diazo-2H-naphthalene;nitrobenzene (CID 175312965) is 1-diazo-2H-naphthalene;nitrobenzene.
What is the SMILES notation for 1-diazo-2H-naphthalene;nitrobenzene?
The canonical SMILES for 1-diazo-2H-naphthalene;nitrobenzene is O=[N+]([O-])c1ccccc1.[N-]=[N+]=C1CC=Cc2ccccc21.
What is the InChIKey of 1-diazo-2H-naphthalene;nitrobenzene?
The InChIKey is HTMYBGSQUBLUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C6H5NO2/c11-12-10-7-3-5-8-4-1-2-6-9(8)10;8-7(9)6-4-2-1-3-5-6/h1-6H,7H2;1-5H.
What are the key properties of 1-diazo-2H-naphthalene;nitrobenzene?
1-diazo-2H-naphthalene;nitrobenzene has a molecular weight of 279.30 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazo-2H-naphthalene;nitrobenzene is sourced from PubChem (CID 175312965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).