7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid

C15H10N2O5 — CID 135527046

IUPAC7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid
SMILESCOC(=O)c1c(O)ccc2nc3c(C(=O)O)cccc3nc12
InChIInChI=1S/C15H10N2O5/c1-22-15(21)11-10(18)6-5-9-13(11)17-8-4-2-3-7(14(19)20)12(8)16-9/h2-6,18H,1H3,(H,19,20)
InChIKeyQGRPCLYUAZBYBK-UHFFFAOYSA-N
MW298.25 g/mol
LogP1.97
Rot. Bonds2

About 7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid

7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid (PubChem CID 135527046) has the molecular formula C15H10N2O5 and a molecular weight of 298.25 g/mol. Its IUPAC name is 7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid
PubChem CID135527046
Molecular FormulaC15H10N2O5
Molecular Weight298.25 g/mol
Exact Mass298.06
IUPAC Name7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid
SMILESCOC(=O)c1c(O)ccc2nc3c(C(=O)O)cccc3nc12
InChIInChI=1S/C15H10N2O5/c1-22-15(21)11-10(18)6-5-9-13(11)17-8-4-2-3-7(14(19)20)12(8)16-9/h2-6,18H,1H3,(H,19,20)
InChIKeyQGRPCLYUAZBYBK-UHFFFAOYSA-N
XLogP1.97
TPSA109.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid?
The IUPAC name of 7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid (CID 135527046) is 7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid.
What is the SMILES notation for 7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid?
The canonical SMILES for 7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid is COC(=O)c1c(O)ccc2nc3c(C(=O)O)cccc3nc12.
What is the InChIKey of 7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid?
The InChIKey is QGRPCLYUAZBYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O5/c1-22-15(21)11-10(18)6-5-9-13(11)17-8-4-2-3-7(14(19)20)12(8)16-9/h2-6,18H,1H3,(H,19,20).
What are the key properties of 7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid?
7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid has a molecular weight of 298.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methoxycarbonylphenazine-1-carboxylic acid is sourced from PubChem (CID 135527046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).