2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one

C15H9N3O5 — CID 101084152

IUPAC2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one
SMILES[N-]=[N+]=Nc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1
InChIInChI=1S/C15H9N3O5/c16-18-17-8-3-1-7(2-4-8)15-14(22)13(21)12-10(20)5-9(19)6-11(12)23-15/h1-6,19-20,22H
InChIKeyQOJXQVQBHCHWMN-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.52
Rot. Bonds2

About 2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one

2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one (PubChem CID 101084152) has the molecular formula C15H9N3O5 and a molecular weight of 311.25 g/mol. Its IUPAC name is 2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one.

Molecular Properties

Compound Name2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one
PubChem CID101084152
Molecular FormulaC15H9N3O5
Molecular Weight311.25 g/mol
Exact Mass311.05
IUPAC Name2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one
SMILES[N-]=[N+]=Nc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1
InChIInChI=1S/C15H9N3O5/c16-18-17-8-3-1-7(2-4-8)15-14(22)13(21)12-10(20)5-9(19)6-11(12)23-15/h1-6,19-20,22H
InChIKeyQOJXQVQBHCHWMN-UHFFFAOYSA-N
XLogP3.52
TPSA139.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
actinium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 20670067
cobalt;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 174557156
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium
CID 175525833
3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one
CID 10453329
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
bis(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one);manganese(2+);dihydrate
CID 53494945
sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride
CID 175300152
4-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzoic acid
CID 86205753
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 87194553
1-azido-3-methylbutane;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 163497268
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 5281672

Frequently Asked Questions

What is the IUPAC name of 2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one?
The IUPAC name of 2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one (CID 101084152) is 2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one.
What is the SMILES notation for 2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one?
The canonical SMILES for 2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one is [N-]=[N+]=Nc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1.
What is the InChIKey of 2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one?
The InChIKey is QOJXQVQBHCHWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O5/c16-18-17-8-3-1-7(2-4-8)15-14(22)13(21)12-10(20)5-9(19)6-11(12)23-15/h1-6,19-20,22H.
What are the key properties of 2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one?
2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one has a molecular weight of 311.25 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one is sourced from PubChem (CID 101084152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).