4,5-diphenylpyridine-2,3-dicarboxylic acid

C19H13NO4 — CID 151906058

IUPAC4,5-diphenylpyridine-2,3-dicarboxylic acid
SMILESO=C(O)c1ncc(-c2ccccc2)c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C19H13NO4/c21-18(22)16-15(13-9-5-2-6-10-13)14(11-20-17(16)19(23)24)12-7-3-1-4-8-12/h1-11H,(H,21,22)(H,23,24)
InChIKeySTTLUBRSDSLCKJ-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.81
Rot. Bonds4

About 4,5-diphenylpyridine-2,3-dicarboxylic acid

4,5-diphenylpyridine-2,3-dicarboxylic acid (PubChem CID 151906058) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 4,5-diphenylpyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name4,5-diphenylpyridine-2,3-dicarboxylic acid
PubChem CID151906058
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name4,5-diphenylpyridine-2,3-dicarboxylic acid
SMILESO=C(O)c1ncc(-c2ccccc2)c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C19H13NO4/c21-18(22)16-15(13-9-5-2-6-10-13)14(11-20-17(16)19(23)24)12-7-3-1-4-8-12/h1-11H,(H,21,22)(H,23,24)
InChIKeySTTLUBRSDSLCKJ-UHFFFAOYSA-N
XLogP3.81
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone
CID 122372233
5-phenylpyridazine-3,4-dicarboxylic acid
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4-phenylisoquinoline-3-carboxylic acid
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4,5-diphenylbenzene-1,2,3-tricarboxylic acid
CID 91377985
3-hydroxy-2-methyl-5-phenylpyridine-4-carboxylic acid
CID 82391092
3-phenylpyridine-2-carboxylic acid
CID 2762789
4,5,6-triphenylbenzene-1,2,3-tricarboxylic acid
CID 22165122
3-[2-[4-[2-(2,3-dicarboxy-4,5,6-triphenylphenyl)phenyl]phenyl]phenyl]-4,5,6-triphenylphthalic acid
CID 175738927
6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid
CID 18788641
4-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-2,3,5-tricarboxylic acid
CID 170999932
6-methoxy-5-phenylpyridine-3-carboxylic acid
CID 46315030

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenylpyridine-2,3-dicarboxylic acid?
The IUPAC name of 4,5-diphenylpyridine-2,3-dicarboxylic acid (CID 151906058) is 4,5-diphenylpyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 4,5-diphenylpyridine-2,3-dicarboxylic acid?
The canonical SMILES for 4,5-diphenylpyridine-2,3-dicarboxylic acid is O=C(O)c1ncc(-c2ccccc2)c(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 4,5-diphenylpyridine-2,3-dicarboxylic acid?
The InChIKey is STTLUBRSDSLCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c21-18(22)16-15(13-9-5-2-6-10-13)14(11-20-17(16)19(23)24)12-7-3-1-4-8-12/h1-11H,(H,21,22)(H,23,24).
What are the key properties of 4,5-diphenylpyridine-2,3-dicarboxylic acid?
4,5-diphenylpyridine-2,3-dicarboxylic acid has a molecular weight of 319.32 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenylpyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 151906058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).