(1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene

C17H13BrN2O — CID 572351

IUPAC(1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C17H13BrN2O/c1-21-14-9-7-13(8-10-14)19-20-16-11-6-12-4-2-3-5-15(12)17(16)18/h2-11H,1H3/b20-19+
InChIKeyOGGGRUDSDPMNND-FMQUCBEESA-N
MW341.21 g/mol
LogP6.03
Rot. Bonds3

About (1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene

(1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene (PubChem CID 572351) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is (1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene.

Molecular Properties

Compound Name(1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene
PubChem CID572351
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name(1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C17H13BrN2O/c1-21-14-9-7-13(8-10-14)19-20-16-11-6-12-4-2-3-5-15(12)17(16)18/h2-11H,1H3/b20-19+
InChIKeyOGGGRUDSDPMNND-FMQUCBEESA-N
XLogP6.03
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.21
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene?
The IUPAC name of (1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene (CID 572351) is (1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene.
What is the SMILES notation for (1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene?
The canonical SMILES for (1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene is COc1ccc(/N=N/c2ccc3ccccc3c2Br)cc1.
What is the InChIKey of (1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene?
The InChIKey is OGGGRUDSDPMNND-FMQUCBEESA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-21-14-9-7-13(8-10-14)19-20-16-11-6-12-4-2-3-5-15(12)17(16)18/h2-11H,1H3/b20-19+.
What are the key properties of (1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene?
(1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene has a molecular weight of 341.21 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene is sourced from PubChem (CID 572351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).