3-azido-2-phenylchromen-4-one

C15H9N3O2 — CID 90825392

IUPAC3-azido-2-phenylchromen-4-one
SMILES[N-]=[N+]=Nc1c(-c2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C15H9N3O2/c16-18-17-13-14(19)11-8-4-5-9-12(11)20-15(13)10-6-2-1-3-7-10/h1-9H
InChIKeyDMNQXJIQWCBENB-UHFFFAOYSA-N
MW263.26 g/mol
LogP4.40
Rot. Bonds2

About 3-azido-2-phenylchromen-4-one

3-azido-2-phenylchromen-4-one (PubChem CID 90825392) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-azido-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-azido-2-phenylchromen-4-one
PubChem CID90825392
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name3-azido-2-phenylchromen-4-one
SMILES[N-]=[N+]=Nc1c(-c2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C15H9N3O2/c16-18-17-13-14(19)11-8-4-5-9-12(11)20-15(13)10-6-2-1-3-7-10/h1-9H
InChIKeyDMNQXJIQWCBENB-UHFFFAOYSA-N
XLogP4.40
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 54.40
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-2-phenylchromen-4-one?
The IUPAC name of 3-azido-2-phenylchromen-4-one (CID 90825392) is 3-azido-2-phenylchromen-4-one.
What is the SMILES notation for 3-azido-2-phenylchromen-4-one?
The canonical SMILES for 3-azido-2-phenylchromen-4-one is [N-]=[N+]=Nc1c(-c2ccccc2)oc2ccccc2c1=O.
What is the InChIKey of 3-azido-2-phenylchromen-4-one?
The InChIKey is DMNQXJIQWCBENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c16-18-17-13-14(19)11-8-4-5-9-12(11)20-15(13)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 3-azido-2-phenylchromen-4-one?
3-azido-2-phenylchromen-4-one has a molecular weight of 263.26 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2-phenylchromen-4-one is sourced from PubChem (CID 90825392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).