1-azido-4-methoxynaphthalene

C11H9N3O — CID 20536800

IUPAC1-azido-4-methoxynaphthalene
SMILESCOc1ccc(N=[N+]=[N-])c2ccccc12
InChIInChI=1S/C11H9N3O/c1-15-11-7-6-10(13-14-12)8-4-2-3-5-9(8)11/h2-7H,1H3
InChIKeyNZOBMSHKTMROJO-UHFFFAOYSA-N
MW199.21 g/mol
LogP3.79
Rot. Bonds2

About 1-azido-4-methoxynaphthalene

1-azido-4-methoxynaphthalene (PubChem CID 20536800) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-azido-4-methoxynaphthalene.

Molecular Properties

Compound Name1-azido-4-methoxynaphthalene
PubChem CID20536800
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name1-azido-4-methoxynaphthalene
SMILESCOc1ccc(N=[N+]=[N-])c2ccccc12
InChIInChI=1S/C11H9N3O/c1-15-11-7-6-10(13-14-12)8-4-2-3-5-9(8)11/h2-7H,1H3
InChIKeyNZOBMSHKTMROJO-UHFFFAOYSA-N
XLogP3.79
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azido-4-methoxynaphthalene?
The IUPAC name of 1-azido-4-methoxynaphthalene (CID 20536800) is 1-azido-4-methoxynaphthalene.
What is the SMILES notation for 1-azido-4-methoxynaphthalene?
The canonical SMILES for 1-azido-4-methoxynaphthalene is COc1ccc(N=[N+]=[N-])c2ccccc12.
What is the InChIKey of 1-azido-4-methoxynaphthalene?
The InChIKey is NZOBMSHKTMROJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-15-11-7-6-10(13-14-12)8-4-2-3-5-9(8)11/h2-7H,1H3.
What are the key properties of 1-azido-4-methoxynaphthalene?
1-azido-4-methoxynaphthalene has a molecular weight of 199.21 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-methoxynaphthalene is sourced from PubChem (CID 20536800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).