pyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid

C16H8N4O4 — CID 10829488

IUPACpyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid
SMILESO=C(O)c1ccc2c3nccnc3c3ccc(C(=O)O)nc3c2n1
InChIInChI=1S/C16H8N4O4/c21-15(22)9-3-1-7-11-12(18-6-5-17-11)8-2-4-10(16(23)24)20-14(8)13(7)19-9/h1-6H,(H,21,22)(H,23,24)
InChIKeyFOXPNQIISXSZQO-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.12
Rot. Bonds2

About pyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid

pyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid (PubChem CID 10829488) has the molecular formula C16H8N4O4 and a molecular weight of 320.26 g/mol. Its IUPAC name is pyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid.

Molecular Properties

Compound Namepyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid
PubChem CID10829488
Molecular FormulaC16H8N4O4
Molecular Weight320.26 g/mol
Exact Mass320.05
IUPAC Namepyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid
SMILESO=C(O)c1ccc2c3nccnc3c3ccc(C(=O)O)nc3c2n1
InChIInChI=1S/C16H8N4O4/c21-15(22)9-3-1-7-11-12(18-6-5-17-11)8-2-4-10(16(23)24)20-14(8)13(7)19-9/h1-6H,(H,21,22)(H,23,24)
InChIKeyFOXPNQIISXSZQO-UHFFFAOYSA-N
XLogP2.12
TPSA126.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid?
The IUPAC name of pyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid (CID 10829488) is pyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid.
What is the SMILES notation for pyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid?
The canonical SMILES for pyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid is O=C(O)c1ccc2c3nccnc3c3ccc(C(=O)O)nc3c2n1.
What is the InChIKey of pyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid?
The InChIKey is FOXPNQIISXSZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N4O4/c21-15(22)9-3-1-7-11-12(18-6-5-17-11)8-2-4-10(16(23)24)20-14(8)13(7)19-9/h1-6H,(H,21,22)(H,23,24).
What are the key properties of pyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid?
pyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid has a molecular weight of 320.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid is sourced from PubChem (CID 10829488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).