2-(3-azidophenyl)benzo[h]chromen-4-one

C19H11N3O2 — CID 155539220

IUPAC2-(3-azidophenyl)benzo[h]chromen-4-one
SMILES[N-]=[N+]=Nc1cccc(-c2cc(=O)c3ccc4ccccc4c3o2)c1
InChIInChI=1S/C19H11N3O2/c20-22-21-14-6-3-5-13(10-14)18-11-17(23)16-9-8-12-4-1-2-7-15(12)19(16)24-18/h1-11H
InChIKeyODBHHPZMWNXBNS-UHFFFAOYSA-N
MW313.32 g/mol
LogP5.55
Rot. Bonds2

About 2-(3-azidophenyl)benzo[h]chromen-4-one

2-(3-azidophenyl)benzo[h]chromen-4-one (PubChem CID 155539220) has the molecular formula C19H11N3O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-(3-azidophenyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(3-azidophenyl)benzo[h]chromen-4-one
PubChem CID155539220
Molecular FormulaC19H11N3O2
Molecular Weight313.32 g/mol
Exact Mass313.09
IUPAC Name2-(3-azidophenyl)benzo[h]chromen-4-one
SMILES[N-]=[N+]=Nc1cccc(-c2cc(=O)c3ccc4ccccc4c3o2)c1
InChIInChI=1S/C19H11N3O2/c20-22-21-14-6-3-5-13(10-14)18-11-17(23)16-9-8-12-4-1-2-7-15(12)19(16)24-18/h1-11H
InChIKeyODBHHPZMWNXBNS-UHFFFAOYSA-N
XLogP5.55
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.32
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azidophenyl)benzo[h]chromen-4-one?
The IUPAC name of 2-(3-azidophenyl)benzo[h]chromen-4-one (CID 155539220) is 2-(3-azidophenyl)benzo[h]chromen-4-one.
What is the SMILES notation for 2-(3-azidophenyl)benzo[h]chromen-4-one?
The canonical SMILES for 2-(3-azidophenyl)benzo[h]chromen-4-one is [N-]=[N+]=Nc1cccc(-c2cc(=O)c3ccc4ccccc4c3o2)c1.
What is the InChIKey of 2-(3-azidophenyl)benzo[h]chromen-4-one?
The InChIKey is ODBHHPZMWNXBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O2/c20-22-21-14-6-3-5-13(10-14)18-11-17(23)16-9-8-12-4-1-2-7-15(12)19(16)24-18/h1-11H.
What are the key properties of 2-(3-azidophenyl)benzo[h]chromen-4-one?
2-(3-azidophenyl)benzo[h]chromen-4-one has a molecular weight of 313.32 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidophenyl)benzo[h]chromen-4-one is sourced from PubChem (CID 155539220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).