2-(azidomethyl)anthracen-9-ol

C15H11N3O — CID 91243146

IUPAC2-(azidomethyl)anthracen-9-ol
SMILES[N-]=[N+]=NCc1ccc2cc3ccccc3c(O)c2c1
InChIInChI=1S/C15H11N3O/c16-18-17-9-10-5-6-12-8-11-3-1-2-4-13(11)15(19)14(12)7-10/h1-8,19H,9H2
InChIKeyFMXBKXFYNYKBIJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP4.51
Rot. Bonds2

About 2-(azidomethyl)anthracen-9-ol

2-(azidomethyl)anthracen-9-ol (PubChem CID 91243146) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(azidomethyl)anthracen-9-ol.

Molecular Properties

Compound Name2-(azidomethyl)anthracen-9-ol
PubChem CID91243146
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name2-(azidomethyl)anthracen-9-ol
SMILES[N-]=[N+]=NCc1ccc2cc3ccccc3c(O)c2c1
InChIInChI=1S/C15H11N3O/c16-18-17-9-10-5-6-12-8-11-3-1-2-4-13(11)15(19)14(12)7-10/h1-8,19H,9H2
InChIKeyFMXBKXFYNYKBIJ-UHFFFAOYSA-N
XLogP4.51
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 54.51
H-Bond Donors ≤ 51
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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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1-(azidomethyl)-3-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)anthracen-9-ol?
The IUPAC name of 2-(azidomethyl)anthracen-9-ol (CID 91243146) is 2-(azidomethyl)anthracen-9-ol.
What is the SMILES notation for 2-(azidomethyl)anthracen-9-ol?
The canonical SMILES for 2-(azidomethyl)anthracen-9-ol is [N-]=[N+]=NCc1ccc2cc3ccccc3c(O)c2c1.
What is the InChIKey of 2-(azidomethyl)anthracen-9-ol?
The InChIKey is FMXBKXFYNYKBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c16-18-17-9-10-5-6-12-8-11-3-1-2-4-13(11)15(19)14(12)7-10/h1-8,19H,9H2.
What are the key properties of 2-(azidomethyl)anthracen-9-ol?
2-(azidomethyl)anthracen-9-ol has a molecular weight of 249.27 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)anthracen-9-ol is sourced from PubChem (CID 91243146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).