1,10-phenanthroline-5-carboxylic acid

C13H8N2O2 — CID 3446446

IUPAC1,10-phenanthroline-5-carboxylic acid
SMILESO=C(O)c1cc2cccnc2c2ncccc12
InChIInChI=1S/C13H8N2O2/c16-13(17)10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H,(H,16,17)
InChIKeyUCJSMIWAXWPDOJ-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.48
Rot. Bonds1

About 1,10-phenanthroline-5-carboxylic acid

1,10-phenanthroline-5-carboxylic acid (PubChem CID 3446446) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1,10-phenanthroline-5-carboxylic acid.

Molecular Properties

Compound Name1,10-phenanthroline-5-carboxylic acid
PubChem CID3446446
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name1,10-phenanthroline-5-carboxylic acid
SMILESO=C(O)c1cc2cccnc2c2ncccc12
InChIInChI=1S/C13H8N2O2/c16-13(17)10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H,(H,16,17)
InChIKeyUCJSMIWAXWPDOJ-UHFFFAOYSA-N
XLogP2.48
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1,10-phenanthroline-5-carboxylic acid?
The IUPAC name of 1,10-phenanthroline-5-carboxylic acid (CID 3446446) is 1,10-phenanthroline-5-carboxylic acid.
What is the SMILES notation for 1,10-phenanthroline-5-carboxylic acid?
The canonical SMILES for 1,10-phenanthroline-5-carboxylic acid is O=C(O)c1cc2cccnc2c2ncccc12.
What is the InChIKey of 1,10-phenanthroline-5-carboxylic acid?
The InChIKey is UCJSMIWAXWPDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c16-13(17)10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H,(H,16,17).
What are the key properties of 1,10-phenanthroline-5-carboxylic acid?
1,10-phenanthroline-5-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthroline-5-carboxylic acid is sourced from PubChem (CID 3446446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).