4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid

C13H10N2O3 — CID 146382293

IUPAC4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid
SMILESO=C(O)C1CNc2c(ccc3cccnc23)C1=O
InChIInChI=1S/C13H10N2O3/c16-12-8-4-3-7-2-1-5-14-10(7)11(8)15-6-9(12)13(17)18/h1-5,9,15H,6H2,(H,17,18)
InChIKeyCKGCSQFEODTJNB-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.54
Rot. Bonds1

About 4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid

4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid (PubChem CID 146382293) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid
PubChem CID146382293
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid
SMILESO=C(O)C1CNc2c(ccc3cccnc23)C1=O
InChIInChI=1S/C13H10N2O3/c16-12-8-4-3-7-2-1-5-14-10(7)11(8)15-6-9(12)13(17)18/h1-5,9,15H,6H2,(H,17,18)
InChIKeyCKGCSQFEODTJNB-UHFFFAOYSA-N
XLogP1.54
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
CID 161336621
5,8-dioxo-7,9-dihydro-6H-pyrido[2,3-b]azepine-6-carboxylic acid
CID 123452794
europium;1,10-phenanthroline
CID 20606755
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
bis(1,10-phenanthroline);ruthenium
CID 15001085
dichlorocopper;hydrogen peroxide;1,10-phenanthroline
CID 158916437

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid?
The IUPAC name of 4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid (CID 146382293) is 4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid?
The canonical SMILES for 4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid is O=C(O)C1CNc2c(ccc3cccnc23)C1=O.
What is the InChIKey of 4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid?
The InChIKey is CKGCSQFEODTJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-12-8-4-3-7-2-1-5-14-10(7)11(8)15-6-9(12)13(17)18/h1-5,9,15H,6H2,(H,17,18).
What are the key properties of 4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid?
4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,3-dihydro-1H-1,10-phenanthroline-3-carboxylic acid is sourced from PubChem (CID 146382293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).