anthracene-2-carbonyl azide

C15H9N3O — CID 102488485

IUPACanthracene-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H9N3O/c16-18-17-15(19)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H
InChIKeySIICUYRZYZNGBU-UHFFFAOYSA-N
MW247.26 g/mol
LogP4.44
Rot. Bonds1

About anthracene-2-carbonyl azide

anthracene-2-carbonyl azide (PubChem CID 102488485) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is anthracene-2-carbonyl azide.

Molecular Properties

Compound Nameanthracene-2-carbonyl azide
PubChem CID102488485
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Nameanthracene-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H9N3O/c16-18-17-15(19)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H
InChIKeySIICUYRZYZNGBU-UHFFFAOYSA-N
XLogP4.44
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of anthracene-2-carbonyl azide?
The IUPAC name of anthracene-2-carbonyl azide (CID 102488485) is anthracene-2-carbonyl azide.
What is the SMILES notation for anthracene-2-carbonyl azide?
The canonical SMILES for anthracene-2-carbonyl azide is [N-]=[N+]=NC(=O)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene-2-carbonyl azide?
The InChIKey is SIICUYRZYZNGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c16-18-17-15(19)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H.
What are the key properties of anthracene-2-carbonyl azide?
anthracene-2-carbonyl azide has a molecular weight of 247.26 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-2-carbonyl azide is sourced from PubChem (CID 102488485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).