(2-bromophenyl)-naphthalen-1-yldiazene

C16H11BrN2 — CID 581691

IUPAC(2-bromophenyl)-naphthalen-1-yldiazene
SMILESBrc1ccccc1/N=N/c1cccc2ccccc12
InChIInChI=1S/C16H11BrN2/c17-14-9-3-4-10-16(14)19-18-15-11-5-7-12-6-1-2-8-13(12)15/h1-11H/b19-18+
InChIKeyWTCYMEGORUYHHH-VHEBQXMUSA-N
MW311.18 g/mol
LogP6.02
Rot. Bonds2

About (2-bromophenyl)-naphthalen-1-yldiazene

(2-bromophenyl)-naphthalen-1-yldiazene (PubChem CID 581691) has the molecular formula C16H11BrN2 and a molecular weight of 311.18 g/mol. Its IUPAC name is (2-bromophenyl)-naphthalen-1-yldiazene.

Molecular Properties

Compound Name(2-bromophenyl)-naphthalen-1-yldiazene
PubChem CID581691
Molecular FormulaC16H11BrN2
Molecular Weight311.18 g/mol
Exact Mass310.01
IUPAC Name(2-bromophenyl)-naphthalen-1-yldiazene
SMILESBrc1ccccc1/N=N/c1cccc2ccccc12
InChIInChI=1S/C16H11BrN2/c17-14-9-3-4-10-16(14)19-18-15-11-5-7-12-6-1-2-8-13(12)15/h1-11H/b19-18+
InChIKeyWTCYMEGORUYHHH-VHEBQXMUSA-N
XLogP6.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.18
LogP ≤ 56.02
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'}

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-naphthalen-1-yldiazene?
The IUPAC name of (2-bromophenyl)-naphthalen-1-yldiazene (CID 581691) is (2-bromophenyl)-naphthalen-1-yldiazene.
What is the SMILES notation for (2-bromophenyl)-naphthalen-1-yldiazene?
The canonical SMILES for (2-bromophenyl)-naphthalen-1-yldiazene is Brc1ccccc1/N=N/c1cccc2ccccc12.
What is the InChIKey of (2-bromophenyl)-naphthalen-1-yldiazene?
The InChIKey is WTCYMEGORUYHHH-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H11BrN2/c17-14-9-3-4-10-16(14)19-18-15-11-5-7-12-6-1-2-8-13(12)15/h1-11H/b19-18+.
What are the key properties of (2-bromophenyl)-naphthalen-1-yldiazene?
(2-bromophenyl)-naphthalen-1-yldiazene has a molecular weight of 311.18 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-naphthalen-1-yldiazene is sourced from PubChem (CID 581691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).