6-phenylpyridine-2,4-dicarboxylic acid

C13H9NO4 — CID 10633973

IUPAC6-phenylpyridine-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)nc(-c2ccccc2)c1
InChIInChI=1S/C13H9NO4/c15-12(16)9-6-10(8-4-2-1-3-5-8)14-11(7-9)13(17)18/h1-7H,(H,15,16)(H,17,18)
InChIKeyXDVOFDQRYWKCJH-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.14
Rot. Bonds3

About 6-phenylpyridine-2,4-dicarboxylic acid

6-phenylpyridine-2,4-dicarboxylic acid (PubChem CID 10633973) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 6-phenylpyridine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name6-phenylpyridine-2,4-dicarboxylic acid
PubChem CID10633973
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name6-phenylpyridine-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)nc(-c2ccccc2)c1
InChIInChI=1S/C13H9NO4/c15-12(16)9-6-10(8-4-2-1-3-5-8)14-11(7-9)13(17)18/h1-7H,(H,15,16)(H,17,18)
InChIKeyXDVOFDQRYWKCJH-UHFFFAOYSA-N
XLogP2.14
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dipyridin-4-ylpyridine-4-carboxylic acid
CID 46316682
4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
CID 54333176
2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid
CID 79020635
3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
CID 54097224
4-methyl-6-phenylpyrimidine-2-carboxylic acid
CID 12846711
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 19916307
6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170133
6-(3-phenylphenyl)pyrazine-2-carboxylic acid
CID 58774790
[4-(2,6-diphenylpyrimidine-4-carbonyl)oxyphenyl] 2,6-diphenylpyrimidine-4-carboxylate
CID 153305203
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
3-(6-carbamoyl-2-pyridinyl)benzoic acid
CID 102340613

Frequently Asked Questions

What is the IUPAC name of 6-phenylpyridine-2,4-dicarboxylic acid?
The IUPAC name of 6-phenylpyridine-2,4-dicarboxylic acid (CID 10633973) is 6-phenylpyridine-2,4-dicarboxylic acid.
What is the SMILES notation for 6-phenylpyridine-2,4-dicarboxylic acid?
The canonical SMILES for 6-phenylpyridine-2,4-dicarboxylic acid is O=C(O)c1cc(C(=O)O)nc(-c2ccccc2)c1.
What is the InChIKey of 6-phenylpyridine-2,4-dicarboxylic acid?
The InChIKey is XDVOFDQRYWKCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c15-12(16)9-6-10(8-4-2-1-3-5-8)14-11(7-9)13(17)18/h1-7H,(H,15,16)(H,17,18).
What are the key properties of 6-phenylpyridine-2,4-dicarboxylic acid?
6-phenylpyridine-2,4-dicarboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylpyridine-2,4-dicarboxylic acid is sourced from PubChem (CID 10633973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).