6-methoxycarbonylphenazine-1-carboxylic acid

C15H10N2O4 — CID 10039396

IUPAC6-methoxycarbonylphenazine-1-carboxylic acid
SMILESCOC(=O)c1cccc2nc3c(C(=O)O)cccc3nc12
InChIInChI=1S/C15H10N2O4/c1-21-15(20)9-5-3-7-11-13(9)17-10-6-2-4-8(14(18)19)12(10)16-11/h2-7H,1H3,(H,18,19)
InChIKeyYPYRMWFNCMDUIB-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.27
Rot. Bonds2

About 6-methoxycarbonylphenazine-1-carboxylic acid

6-methoxycarbonylphenazine-1-carboxylic acid (PubChem CID 10039396) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 6-methoxycarbonylphenazine-1-carboxylic acid.

Molecular Properties

Compound Name6-methoxycarbonylphenazine-1-carboxylic acid
PubChem CID10039396
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name6-methoxycarbonylphenazine-1-carboxylic acid
SMILESCOC(=O)c1cccc2nc3c(C(=O)O)cccc3nc12
InChIInChI=1S/C15H10N2O4/c1-21-15(20)9-5-3-7-11-13(9)17-10-6-2-4-8(14(18)19)12(10)16-11/h2-7H,1H3,(H,18,19)
InChIKeyYPYRMWFNCMDUIB-UHFFFAOYSA-N
XLogP2.27
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-methoxycarbonylphenazine-1-carboxylic acid?
The IUPAC name of 6-methoxycarbonylphenazine-1-carboxylic acid (CID 10039396) is 6-methoxycarbonylphenazine-1-carboxylic acid.
What is the SMILES notation for 6-methoxycarbonylphenazine-1-carboxylic acid?
The canonical SMILES for 6-methoxycarbonylphenazine-1-carboxylic acid is COC(=O)c1cccc2nc3c(C(=O)O)cccc3nc12.
What is the InChIKey of 6-methoxycarbonylphenazine-1-carboxylic acid?
The InChIKey is YPYRMWFNCMDUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c1-21-15(20)9-5-3-7-11-13(9)17-10-6-2-4-8(14(18)19)12(10)16-11/h2-7H,1H3,(H,18,19).
What are the key properties of 6-methoxycarbonylphenazine-1-carboxylic acid?
6-methoxycarbonylphenazine-1-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycarbonylphenazine-1-carboxylic acid is sourced from PubChem (CID 10039396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).