5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid

C15H12N2O4 — CID 44715281

IUPAC5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Nc1ccccc1N2C(=O)CO
InChIInChI=1S/C15H12N2O4/c18-8-13(19)17-11-6-2-1-5-10(11)16-14-9(15(20)21)4-3-7-12(14)17/h1-7,16,18H,8H2,(H,20,21)
InChIKeyNXXFSEZACTZCGP-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.10
Rot. Bonds2

About 5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid

5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid (PubChem CID 44715281) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid
PubChem CID44715281
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Nc1ccccc1N2C(=O)CO
InChIInChI=1S/C15H12N2O4/c18-8-13(19)17-11-6-2-1-5-10(11)16-14-9(15(20)21)4-3-7-12(14)17/h1-7,16,18H,8H2,(H,20,21)
InChIKeyNXXFSEZACTZCGP-UHFFFAOYSA-N
XLogP2.10
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid?
The IUPAC name of 5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid (CID 44715281) is 5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid?
The canonical SMILES for 5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid is O=C(O)c1cccc2c1Nc1ccccc1N2C(=O)CO.
What is the InChIKey of 5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid?
The InChIKey is NXXFSEZACTZCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-8-13(19)17-11-6-2-1-5-10(11)16-14-9(15(20)21)4-3-7-12(14)17/h1-7,16,18H,8H2,(H,20,21).
What are the key properties of 5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid?
5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyacetyl)-10H-phenazine-1-carboxylic acid is sourced from PubChem (CID 44715281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).