2,3-dihydroxyphenazine-1-carboxylic acid

C13H8N2O4 — CID 135697364

IUPAC2,3-dihydroxyphenazine-1-carboxylic acid
SMILESO=C(O)c1c(O)c(O)cc2nc3ccccc3nc12
InChIInChI=1S/C13H8N2O4/c16-9-5-8-11(10(12(9)17)13(18)19)15-7-4-2-1-3-6(7)14-8/h1-5,16-17H,(H,18,19)
InChIKeyAZEWZCMCVNANLS-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.89
Rot. Bonds1

About 2,3-dihydroxyphenazine-1-carboxylic acid

2,3-dihydroxyphenazine-1-carboxylic acid (PubChem CID 135697364) has the molecular formula C13H8N2O4 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2,3-dihydroxyphenazine-1-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydroxyphenazine-1-carboxylic acid
PubChem CID135697364
Molecular FormulaC13H8N2O4
Molecular Weight256.22 g/mol
Exact Mass256.05
IUPAC Name2,3-dihydroxyphenazine-1-carboxylic acid
SMILESO=C(O)c1c(O)c(O)cc2nc3ccccc3nc12
InChIInChI=1S/C13H8N2O4/c16-9-5-8-11(10(12(9)17)13(18)19)15-7-4-2-1-3-6(7)14-8/h1-5,16-17H,(H,18,19)
InChIKeyAZEWZCMCVNANLS-UHFFFAOYSA-N
XLogP1.89
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxyphenazine-1-carboxylic acid?
The IUPAC name of 2,3-dihydroxyphenazine-1-carboxylic acid (CID 135697364) is 2,3-dihydroxyphenazine-1-carboxylic acid.
What is the SMILES notation for 2,3-dihydroxyphenazine-1-carboxylic acid?
The canonical SMILES for 2,3-dihydroxyphenazine-1-carboxylic acid is O=C(O)c1c(O)c(O)cc2nc3ccccc3nc12.
What is the InChIKey of 2,3-dihydroxyphenazine-1-carboxylic acid?
The InChIKey is AZEWZCMCVNANLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O4/c16-9-5-8-11(10(12(9)17)13(18)19)15-7-4-2-1-3-6(7)14-8/h1-5,16-17H,(H,18,19).
What are the key properties of 2,3-dihydroxyphenazine-1-carboxylic acid?
2,3-dihydroxyphenazine-1-carboxylic acid has a molecular weight of 256.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxyphenazine-1-carboxylic acid is sourced from PubChem (CID 135697364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).