2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid

C27H19N5O4 — CID 69493965

IUPAC2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccn2)c1C(=O)O.c1ccc(-c2cccnc2-c2ccccn2)nc1
InChIInChI=1S/C15H11N3.C12H8N2O4/c1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14;15-11(16)7-4-6-14-10(9(7)12(17)18)8-3-1-2-5-13-8/h1-11H;1-6H,(H,15,16)(H,17,18)
InChIKeyAZWJGLXQMYEFAE-UHFFFAOYSA-N
MW477.48 g/mol
LogP4.75
Rot. Bonds5

About 2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid

2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid (PubChem CID 69493965) has the molecular formula C27H19N5O4 and a molecular weight of 477.48 g/mol. Its IUPAC name is 2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid
PubChem CID69493965
Molecular FormulaC27H19N5O4
Molecular Weight477.48 g/mol
Exact Mass477.14
IUPAC Name2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccn2)c1C(=O)O.c1ccc(-c2cccnc2-c2ccccn2)nc1
InChIInChI=1S/C15H11N3.C12H8N2O4/c1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14;15-11(16)7-4-6-14-10(9(7)12(17)18)8-3-1-2-5-13-8/h1-11H;1-6H,(H,15,16)(H,17,18)
InChIKeyAZWJGLXQMYEFAE-UHFFFAOYSA-N
XLogP4.75
TPSA139.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid?
The IUPAC name of 2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid (CID 69493965) is 2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid.
What is the SMILES notation for 2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid?
The canonical SMILES for 2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid is O=C(O)c1ccnc(-c2ccccn2)c1C(=O)O.c1ccc(-c2cccnc2-c2ccccn2)nc1.
What is the InChIKey of 2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid?
The InChIKey is AZWJGLXQMYEFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3.C12H8N2O4/c1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14;15-11(16)7-4-6-14-10(9(7)12(17)18)8-3-1-2-5-13-8/h1-11H;1-6H,(H,15,16)(H,17,18).
What are the key properties of 2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid?
2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid has a molecular weight of 477.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid is sourced from PubChem (CID 69493965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).