2,3-dipyridin-4-ylterephthalic acid

C18H12N2O4 — CID 91232675

IUPAC2,3-dipyridin-4-ylterephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(-c2ccncc2)c1-c1ccncc1
InChIInChI=1S/C18H12N2O4/c21-17(22)13-1-2-14(18(23)24)16(12-5-9-20-10-6-12)15(13)11-3-7-19-8-4-11/h1-10H,(H,21,22)(H,23,24)
InChIKeyZAEKOAKPGPMTSR-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.21
Rot. Bonds4

About 2,3-dipyridin-4-ylterephthalic acid

2,3-dipyridin-4-ylterephthalic acid (PubChem CID 91232675) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2,3-dipyridin-4-ylterephthalic acid.

Molecular Properties

Compound Name2,3-dipyridin-4-ylterephthalic acid
PubChem CID91232675
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name2,3-dipyridin-4-ylterephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(-c2ccncc2)c1-c1ccncc1
InChIInChI=1S/C18H12N2O4/c21-17(22)13-1-2-14(18(23)24)16(12-5-9-20-10-6-12)15(13)11-3-7-19-8-4-11/h1-10H,(H,21,22)(H,23,24)
InChIKeyZAEKOAKPGPMTSR-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

2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575
Isoquinoline-5-carboxylic acid
CID 260936
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
4-Pyridin-3-yl-benzoic acid
CID 1515244
Methyl 6-pyridin-3-yl-2-naphthoate
CID 11594132
4-(2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)-3-isobutyl-4-biphenylcarboxylic acid
CID 11235459
8-Methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 3768281
Cinchoninic acid, 6-methyl-2-(3-pyridyl)-
CID 21187
4-(2-Pyridyl)Benzoic Acid
CID 821692
3-(Pyridin-4-yl)benzoic acid
CID 2795562

Frequently Asked Questions

What is the IUPAC name of 2,3-dipyridin-4-ylterephthalic acid?
The IUPAC name of 2,3-dipyridin-4-ylterephthalic acid (CID 91232675) is 2,3-dipyridin-4-ylterephthalic acid.
What is the SMILES notation for 2,3-dipyridin-4-ylterephthalic acid?
The canonical SMILES for 2,3-dipyridin-4-ylterephthalic acid is O=C(O)c1ccc(C(=O)O)c(-c2ccncc2)c1-c1ccncc1.
What is the InChIKey of 2,3-dipyridin-4-ylterephthalic acid?
The InChIKey is ZAEKOAKPGPMTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c21-17(22)13-1-2-14(18(23)24)16(12-5-9-20-10-6-12)15(13)11-3-7-19-8-4-11/h1-10H,(H,21,22)(H,23,24).
What are the key properties of 2,3-dipyridin-4-ylterephthalic acid?
2,3-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 2,3-dipyridin-4-ylterephthalic acid is sourced from PubChem (CID 91232675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).