6-hydroxy-4-methyl-5,7-dinitrochromen-2-one

C10H6N2O7 — CID 10858394

IUPAC6-hydroxy-4-methyl-5,7-dinitrochromen-2-one
SMILESCc1cc(=O)oc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c12
InChIInChI=1S/C10H6N2O7/c1-4-2-7(13)19-6-3-5(11(15)16)10(14)9(8(4)6)12(17)18/h2-3,14H,1H3
InChIKeyCHGOKYJXASGLFU-UHFFFAOYSA-N
MW266.16 g/mol
LogP1.62
Rot. Bonds2

About 6-hydroxy-4-methyl-5,7-dinitrochromen-2-one

6-hydroxy-4-methyl-5,7-dinitrochromen-2-one (PubChem CID 10858394) has the molecular formula C10H6N2O7 and a molecular weight of 266.16 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5,7-dinitrochromen-2-one.

Molecular Properties

Compound Name6-hydroxy-4-methyl-5,7-dinitrochromen-2-one
PubChem CID10858394
Molecular FormulaC10H6N2O7
Molecular Weight266.16 g/mol
Exact Mass266.02
IUPAC Name6-hydroxy-4-methyl-5,7-dinitrochromen-2-one
SMILESCc1cc(=O)oc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c12
InChIInChI=1S/C10H6N2O7/c1-4-2-7(13)19-6-3-5(11(15)16)10(14)9(8(4)6)12(17)18/h2-3,14H,1H3
InChIKeyCHGOKYJXASGLFU-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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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-5,7-dinitrochromen-2-one?
The IUPAC name of 6-hydroxy-4-methyl-5,7-dinitrochromen-2-one (CID 10858394) is 6-hydroxy-4-methyl-5,7-dinitrochromen-2-one.
What is the SMILES notation for 6-hydroxy-4-methyl-5,7-dinitrochromen-2-one?
The canonical SMILES for 6-hydroxy-4-methyl-5,7-dinitrochromen-2-one is Cc1cc(=O)oc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c12.
What is the InChIKey of 6-hydroxy-4-methyl-5,7-dinitrochromen-2-one?
The InChIKey is CHGOKYJXASGLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O7/c1-4-2-7(13)19-6-3-5(11(15)16)10(14)9(8(4)6)12(17)18/h2-3,14H,1H3.
What are the key properties of 6-hydroxy-4-methyl-5,7-dinitrochromen-2-one?
6-hydroxy-4-methyl-5,7-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 6-hydroxy-4-methyl-5,7-dinitrochromen-2-one is sourced from PubChem (CID 10858394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).