7-hydroxy-4-methyl-3,6-dinitrochromen-2-one

C10H6N2O7 — CID 10659374

IUPAC7-hydroxy-4-methyl-3,6-dinitrochromen-2-one
SMILESCc1c([N+](=O)[O-])c(=O)oc2cc(O)c([N+](=O)[O-])cc12
InChIInChI=1S/C10H6N2O7/c1-4-5-2-6(11(15)16)7(13)3-8(5)19-10(14)9(4)12(17)18/h2-3,13H,1H3
InChIKeyPXOFZBHIAPMHHS-UHFFFAOYSA-N
MW266.16 g/mol
LogP1.62
Rot. Bonds2

About 7-hydroxy-4-methyl-3,6-dinitrochromen-2-one

7-hydroxy-4-methyl-3,6-dinitrochromen-2-one (PubChem CID 10659374) has the molecular formula C10H6N2O7 and a molecular weight of 266.16 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-3,6-dinitrochromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-3,6-dinitrochromen-2-one
PubChem CID10659374
Molecular FormulaC10H6N2O7
Molecular Weight266.16 g/mol
Exact Mass266.02
IUPAC Name7-hydroxy-4-methyl-3,6-dinitrochromen-2-one
SMILESCc1c([N+](=O)[O-])c(=O)oc2cc(O)c([N+](=O)[O-])cc12
InChIInChI=1S/C10H6N2O7/c1-4-5-2-6(11(15)16)7(13)3-8(5)19-10(14)9(4)12(17)18/h2-3,13H,1H3
InChIKeyPXOFZBHIAPMHHS-UHFFFAOYSA-N
XLogP1.62
TPSA136.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

7-Hydroxy-4-methyl-8-nitrocoumarin
CID 5376327
8-Amino-7-hydroxy-4-methyl-chromen-2-one
CID 5310473
ethyl [(4-methyl-6-nitro-2-oxo-2H-chromen-7-yl)oxy]acetate
CID 734975
7-hydroxy-4-methyl-6-[(E)-phenyldiazenyl]-2H-chromen-2-one
CID 135436035
7-(2,4-dinitrophenoxy)-4-methyl-2H-chromen-2-one
CID 3121201
7-hydroxy-4-(4-nitrophenyl)-2H-chromen-2-one
CID 5682293
7-Hydroxy-4-methyl-6-nitrocoumarin
CID 5385113
7-(2,4-dinitrophenoxy)-2H-chromen-2-one
CID 1908550
5,7-Dihydroxy-4-(4-nitrophenyl)chromen-2-one
CID 5291189
7-hydroxy-4,8-dimethyl-6-nitro-2H-chromen-2-one
CID 5291935
6-Nitro-7-hydroxycoumarin
CID 10013236
3,8-Dibromo-7-hydroxy-4-methyl-6-nitrochromen-2-one
CID 24799273

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-3,6-dinitrochromen-2-one?
The IUPAC name of 7-hydroxy-4-methyl-3,6-dinitrochromen-2-one (CID 10659374) is 7-hydroxy-4-methyl-3,6-dinitrochromen-2-one.
What is the SMILES notation for 7-hydroxy-4-methyl-3,6-dinitrochromen-2-one?
The canonical SMILES for 7-hydroxy-4-methyl-3,6-dinitrochromen-2-one is Cc1c([N+](=O)[O-])c(=O)oc2cc(O)c([N+](=O)[O-])cc12.
What is the InChIKey of 7-hydroxy-4-methyl-3,6-dinitrochromen-2-one?
The InChIKey is PXOFZBHIAPMHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O7/c1-4-5-2-6(11(15)16)7(13)3-8(5)19-10(14)9(4)12(17)18/h2-3,13H,1H3.
What are the key properties of 7-hydroxy-4-methyl-3,6-dinitrochromen-2-one?
7-hydroxy-4-methyl-3,6-dinitrochromen-2-one has a molecular weight of 266.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-3,6-dinitrochromen-2-one is sourced from PubChem (CID 10659374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).