1,10-phenanthroline-1,10-dicarboxylic acid

C14H10N2O4 — CID 57270211

IUPAC1,10-phenanthroline-1,10-dicarboxylic acid
SMILESO=C(O)N1C=CC=c2ccc3c(c21)N(C(=O)O)C=CC=3
InChIInChI=1S/C14H10N2O4/c17-13(18)15-7-1-3-9-5-6-10-4-2-8-16(14(19)20)12(10)11(9)15/h1-8H,(H,17,18)(H,19,20)
InChIKeyRLXONGRCVYGRMB-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.27
Rot. Bonds

About 1,10-phenanthroline-1,10-dicarboxylic acid

1,10-phenanthroline-1,10-dicarboxylic acid (PubChem CID 57270211) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1,10-phenanthroline-1,10-dicarboxylic acid.

Molecular Properties

Compound Name1,10-phenanthroline-1,10-dicarboxylic acid
PubChem CID57270211
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name1,10-phenanthroline-1,10-dicarboxylic acid
SMILESO=C(O)N1C=CC=c2ccc3c(c21)N(C(=O)O)C=CC=3
InChIInChI=1S/C14H10N2O4/c17-13(18)15-7-1-3-9-5-6-10-4-2-8-16(14(19)20)12(10)11(9)15/h1-8H,(H,17,18)(H,19,20)
InChIKeyRLXONGRCVYGRMB-UHFFFAOYSA-N
XLogP1.27
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,10-phenanthroline-1,10-dicarboxylic acid?
The IUPAC name of 1,10-phenanthroline-1,10-dicarboxylic acid (CID 57270211) is 1,10-phenanthroline-1,10-dicarboxylic acid.
What is the SMILES notation for 1,10-phenanthroline-1,10-dicarboxylic acid?
The canonical SMILES for 1,10-phenanthroline-1,10-dicarboxylic acid is O=C(O)N1C=CC=c2ccc3c(c21)N(C(=O)O)C=CC=3.
What is the InChIKey of 1,10-phenanthroline-1,10-dicarboxylic acid?
The InChIKey is RLXONGRCVYGRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-13(18)15-7-1-3-9-5-6-10-4-2-8-16(14(19)20)12(10)11(9)15/h1-8H,(H,17,18)(H,19,20).
What are the key properties of 1,10-phenanthroline-1,10-dicarboxylic acid?
1,10-phenanthroline-1,10-dicarboxylic acid has a molecular weight of 270.24 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthroline-1,10-dicarboxylic acid is sourced from PubChem (CID 57270211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).