3-azido-6-hydroxychromen-2-one

C9H5N3O3 — CID 86689991

IUPAC3-azido-6-hydroxychromen-2-one
SMILES[N-]=[N+]=Nc1cc2cc(O)ccc2oc1=O
InChIInChI=1S/C9H5N3O3/c10-12-11-7-4-5-3-6(13)1-2-8(5)15-9(7)14/h1-4,13H
InChIKeyGCAMCDGMAANNAR-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.44
Rot. Bonds1

About 3-azido-6-hydroxychromen-2-one

3-azido-6-hydroxychromen-2-one (PubChem CID 86689991) has the molecular formula C9H5N3O3 and a molecular weight of 203.16 g/mol. Its IUPAC name is 3-azido-6-hydroxychromen-2-one.

Molecular Properties

Compound Name3-azido-6-hydroxychromen-2-one
PubChem CID86689991
Molecular FormulaC9H5N3O3
Molecular Weight203.16 g/mol
Exact Mass203.03
IUPAC Name3-azido-6-hydroxychromen-2-one
SMILES[N-]=[N+]=Nc1cc2cc(O)ccc2oc1=O
InChIInChI=1S/C9H5N3O3/c10-12-11-7-4-5-3-6(13)1-2-8(5)15-9(7)14/h1-4,13H
InChIKeyGCAMCDGMAANNAR-UHFFFAOYSA-N
XLogP2.44
TPSA99.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'cumarine', '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-6-hydroxychromen-2-one?
The IUPAC name of 3-azido-6-hydroxychromen-2-one (CID 86689991) is 3-azido-6-hydroxychromen-2-one.
What is the SMILES notation for 3-azido-6-hydroxychromen-2-one?
The canonical SMILES for 3-azido-6-hydroxychromen-2-one is [N-]=[N+]=Nc1cc2cc(O)ccc2oc1=O.
What is the InChIKey of 3-azido-6-hydroxychromen-2-one?
The InChIKey is GCAMCDGMAANNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O3/c10-12-11-7-4-5-3-6(13)1-2-8(5)15-9(7)14/h1-4,13H.
What are the key properties of 3-azido-6-hydroxychromen-2-one?
3-azido-6-hydroxychromen-2-one has a molecular weight of 203.16 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-6-hydroxychromen-2-one is sourced from PubChem (CID 86689991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).