7,8-dihydro-1,7-phenanthroline-3-carboxylic acid

C13H10N2O2 — CID 70579322

IUPAC7,8-dihydro-1,7-phenanthroline-3-carboxylic acid
SMILESO=C(O)c1cnc2c3c(ccc2c1)NCC=C3
InChIInChI=1S/C13H10N2O2/c16-13(17)9-6-8-3-4-11-10(2-1-5-14-11)12(8)15-7-9/h1-4,6-7,14H,5H2,(H,16,17)
InChIKeyZLYILMPUOMEPRR-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.37
Rot. Bonds1

About 7,8-dihydro-1,7-phenanthroline-3-carboxylic acid

7,8-dihydro-1,7-phenanthroline-3-carboxylic acid (PubChem CID 70579322) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 7,8-dihydro-1,7-phenanthroline-3-carboxylic acid.

Molecular Properties

Compound Name7,8-dihydro-1,7-phenanthroline-3-carboxylic acid
PubChem CID70579322
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name7,8-dihydro-1,7-phenanthroline-3-carboxylic acid
SMILESO=C(O)c1cnc2c3c(ccc2c1)NCC=C3
InChIInChI=1S/C13H10N2O2/c16-13(17)9-6-8-3-4-11-10(2-1-5-14-11)12(8)15-7-9/h1-4,6-7,14H,5H2,(H,16,17)
InChIKeyZLYILMPUOMEPRR-UHFFFAOYSA-N
XLogP2.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-1,7-phenanthroline-3-carboxylic acid?
The IUPAC name of 7,8-dihydro-1,7-phenanthroline-3-carboxylic acid (CID 70579322) is 7,8-dihydro-1,7-phenanthroline-3-carboxylic acid.
What is the SMILES notation for 7,8-dihydro-1,7-phenanthroline-3-carboxylic acid?
The canonical SMILES for 7,8-dihydro-1,7-phenanthroline-3-carboxylic acid is O=C(O)c1cnc2c3c(ccc2c1)NCC=C3.
What is the InChIKey of 7,8-dihydro-1,7-phenanthroline-3-carboxylic acid?
The InChIKey is ZLYILMPUOMEPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13(17)9-6-8-3-4-11-10(2-1-5-14-11)12(8)15-7-9/h1-4,6-7,14H,5H2,(H,16,17).
What are the key properties of 7,8-dihydro-1,7-phenanthroline-3-carboxylic acid?
7,8-dihydro-1,7-phenanthroline-3-carboxylic acid has a molecular weight of 226.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-1,7-phenanthroline-3-carboxylic acid is sourced from PubChem (CID 70579322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).