7-hydroxy-4-methyl-6-nitrochromen-2-one

C10H7NO5 — CID 5385113

IUPAC7-hydroxy-4-methyl-6-nitrochromen-2-one
SMILESCc1cc(=O)oc2cc(O)c([N+](=O)[O-])cc12
InChIInChI=1S/C10H7NO5/c1-5-2-10(13)16-9-4-8(12)7(11(14)15)3-6(5)9/h2-4,12H,1H3
InChIKeyDPLGBPYLXGFDJY-UHFFFAOYSA-N
MW221.17 g/mol
LogP1.72
Rot. Bonds1

About 7-hydroxy-4-methyl-6-nitrochromen-2-one

7-hydroxy-4-methyl-6-nitrochromen-2-one (PubChem CID 5385113) has the molecular formula C10H7NO5 and a molecular weight of 221.17 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-6-nitrochromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-6-nitrochromen-2-one
PubChem CID5385113
Molecular FormulaC10H7NO5
Molecular Weight221.17 g/mol
Exact Mass221.03
IUPAC Name7-hydroxy-4-methyl-6-nitrochromen-2-one
SMILESCc1cc(=O)oc2cc(O)c([N+](=O)[O-])cc12
InChIInChI=1S/C10H7NO5/c1-5-2-10(13)16-9-4-8(12)7(11(14)15)3-6(5)9/h2-4,12H,1H3
InChIKeyDPLGBPYLXGFDJY-UHFFFAOYSA-N
XLogP1.72
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 51.72
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'}

Analyze 7-hydroxy-4-methyl-6-nitrochromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-6-nitrochromen-2-one?
The IUPAC name of 7-hydroxy-4-methyl-6-nitrochromen-2-one (CID 5385113) is 7-hydroxy-4-methyl-6-nitrochromen-2-one.
What is the SMILES notation for 7-hydroxy-4-methyl-6-nitrochromen-2-one?
The canonical SMILES for 7-hydroxy-4-methyl-6-nitrochromen-2-one is Cc1cc(=O)oc2cc(O)c([N+](=O)[O-])cc12.
What is the InChIKey of 7-hydroxy-4-methyl-6-nitrochromen-2-one?
The InChIKey is DPLGBPYLXGFDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO5/c1-5-2-10(13)16-9-4-8(12)7(11(14)15)3-6(5)9/h2-4,12H,1H3.
What are the key properties of 7-hydroxy-4-methyl-6-nitrochromen-2-one?
7-hydroxy-4-methyl-6-nitrochromen-2-one has a molecular weight of 221.17 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-6-nitrochromen-2-one is sourced from PubChem (CID 5385113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).