4-hydroxy-7-nitrochromen-2-one

C9H5NO5 — CID 59746908

IUPAC4-hydroxy-7-nitrochromen-2-one
SMILESO=c1cc(O)c2ccc([N+](=O)[O-])cc2o1
InChIInChI=1S/C9H5NO5/c11-7-4-9(12)15-8-3-5(10(13)14)1-2-6(7)8/h1-4,11H
InChIKeyKXNSTVIWGDJXFA-UHFFFAOYSA-N
MW207.14 g/mol
LogP1.41
Rot. Bonds1

About 4-hydroxy-7-nitrochromen-2-one

4-hydroxy-7-nitrochromen-2-one (PubChem CID 59746908) has the molecular formula C9H5NO5 and a molecular weight of 207.14 g/mol. Its IUPAC name is 4-hydroxy-7-nitrochromen-2-one.

Molecular Properties

Compound Name4-hydroxy-7-nitrochromen-2-one
PubChem CID59746908
Molecular FormulaC9H5NO5
Molecular Weight207.14 g/mol
Exact Mass207.02
IUPAC Name4-hydroxy-7-nitrochromen-2-one
SMILESO=c1cc(O)c2ccc([N+](=O)[O-])cc2o1
InChIInChI=1S/C9H5NO5/c11-7-4-9(12)15-8-3-5(10(13)14)1-2-6(7)8/h1-4,11H
InChIKeyKXNSTVIWGDJXFA-UHFFFAOYSA-N
XLogP1.41
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-nitrochromen-2-one?
The IUPAC name of 4-hydroxy-7-nitrochromen-2-one (CID 59746908) is 4-hydroxy-7-nitrochromen-2-one.
What is the SMILES notation for 4-hydroxy-7-nitrochromen-2-one?
The canonical SMILES for 4-hydroxy-7-nitrochromen-2-one is O=c1cc(O)c2ccc([N+](=O)[O-])cc2o1.
What is the InChIKey of 4-hydroxy-7-nitrochromen-2-one?
The InChIKey is KXNSTVIWGDJXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO5/c11-7-4-9(12)15-8-3-5(10(13)14)1-2-6(7)8/h1-4,11H.
What are the key properties of 4-hydroxy-7-nitrochromen-2-one?
4-hydroxy-7-nitrochromen-2-one has a molecular weight of 207.14 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-nitrochromen-2-one is sourced from PubChem (CID 59746908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).