5-hydroxy-6-nitrochromen-4-one

C9H5NO5 — CID 19898781

IUPAC5-hydroxy-6-nitrochromen-4-one
SMILESO=c1ccoc2ccc([N+](=O)[O-])c(O)c12
InChIInChI=1S/C9H5NO5/c11-6-3-4-15-7-2-1-5(10(13)14)9(12)8(6)7/h1-4,12H
InChIKeyMIPSENQXJSDANC-UHFFFAOYSA-N
MW207.14 g/mol
LogP1.41
Rot. Bonds1

About 5-hydroxy-6-nitrochromen-4-one

5-hydroxy-6-nitrochromen-4-one (PubChem CID 19898781) has the molecular formula C9H5NO5 and a molecular weight of 207.14 g/mol. Its IUPAC name is 5-hydroxy-6-nitrochromen-4-one.

Molecular Properties

Compound Name5-hydroxy-6-nitrochromen-4-one
PubChem CID19898781
Molecular FormulaC9H5NO5
Molecular Weight207.14 g/mol
Exact Mass207.02
IUPAC Name5-hydroxy-6-nitrochromen-4-one
SMILESO=c1ccoc2ccc([N+](=O)[O-])c(O)c12
InChIInChI=1S/C9H5NO5/c11-6-3-4-15-7-2-1-5(10(13)14)9(12)8(6)7/h1-4,12H
InChIKeyMIPSENQXJSDANC-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': '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 5-hydroxy-6-nitrochromen-4-one?
The IUPAC name of 5-hydroxy-6-nitrochromen-4-one (CID 19898781) is 5-hydroxy-6-nitrochromen-4-one.
What is the SMILES notation for 5-hydroxy-6-nitrochromen-4-one?
The canonical SMILES for 5-hydroxy-6-nitrochromen-4-one is O=c1ccoc2ccc([N+](=O)[O-])c(O)c12.
What is the InChIKey of 5-hydroxy-6-nitrochromen-4-one?
The InChIKey is MIPSENQXJSDANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO5/c11-6-3-4-15-7-2-1-5(10(13)14)9(12)8(6)7/h1-4,12H.
What are the key properties of 5-hydroxy-6-nitrochromen-4-one?
5-hydroxy-6-nitrochromen-4-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 5-hydroxy-6-nitrochromen-4-one is sourced from PubChem (CID 19898781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).