2,5-dipyridin-4-ylterephthalic acid

C18H12N2O4 — CID 163197795

IUPAC2,5-dipyridin-4-ylterephthalic acid
SMILESO=C(O)c1cc(-c2ccncc2)c(C(=O)O)cc1-c1ccncc1
InChIInChI=1S/C18H12N2O4/c21-17(22)15-10-14(12-3-7-20-8-4-12)16(18(23)24)9-13(15)11-1-5-19-6-2-11/h1-10H,(H,21,22)(H,23,24)
InChIKeyFYEZAERADNCKKB-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.21
Rot. Bonds4

About 2,5-dipyridin-4-ylterephthalic acid

2,5-dipyridin-4-ylterephthalic acid (PubChem CID 163197795) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2,5-dipyridin-4-ylterephthalic acid.

Molecular Properties

Compound Name2,5-dipyridin-4-ylterephthalic acid
PubChem CID163197795
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name2,5-dipyridin-4-ylterephthalic acid
SMILESO=C(O)c1cc(-c2ccncc2)c(C(=O)O)cc1-c1ccncc1
InChIInChI=1S/C18H12N2O4/c21-17(22)15-10-14(12-3-7-20-8-4-12)16(18(23)24)9-13(15)11-1-5-19-6-2-11/h1-10H,(H,21,22)(H,23,24)
InChIKeyFYEZAERADNCKKB-UHFFFAOYSA-N
XLogP3.21
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
2,4-dimethyl-5-pyridin-4-ylbenzoic acid
CID 107515528
4-pyridin-4-ylthiophene-3-carboxylic acid
CID 83235084
4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide
CID 159949723
5-pyridin-4-ylnaphthalene-1-carboxylic acid
CID 22118910
4-methyl-5-pyridin-4-ylpyridine-3-carboxylic acid
CID 140683950
2-hydroxy-4-pyridin-4-ylbenzoic acid
CID 22710668
2-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-2-yl)benzoic acid
CID 18939010
3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride
CID 141009067
6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid
CID 20553799
2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane)
CID 139083328
2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid
CID 46315833

Frequently Asked Questions

What is the IUPAC name of 2,5-dipyridin-4-ylterephthalic acid?
The IUPAC name of 2,5-dipyridin-4-ylterephthalic acid (CID 163197795) is 2,5-dipyridin-4-ylterephthalic acid.
What is the SMILES notation for 2,5-dipyridin-4-ylterephthalic acid?
The canonical SMILES for 2,5-dipyridin-4-ylterephthalic acid is O=C(O)c1cc(-c2ccncc2)c(C(=O)O)cc1-c1ccncc1.
What is the InChIKey of 2,5-dipyridin-4-ylterephthalic acid?
The InChIKey is FYEZAERADNCKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c21-17(22)15-10-14(12-3-7-20-8-4-12)16(18(23)24)9-13(15)11-1-5-19-6-2-11/h1-10H,(H,21,22)(H,23,24).
What are the key properties of 2,5-dipyridin-4-ylterephthalic acid?
2,5-dipyridin-4-ylterephthalic acid has a molecular weight of 320.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipyridin-4-ylterephthalic acid is sourced from PubChem (CID 163197795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).