4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid

C24H16N2O4 — CID 155920059

IUPAC4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)nc(-c3cccnc3)c2)cc1
InChIInChI=1S/C24H16N2O4/c27-23(28)17-7-3-15(4-8-17)20-12-21(16-5-9-18(10-6-16)24(29)30)26-22(13-20)19-2-1-11-25-14-19/h1-14H,(H,27,28)(H,29,30)
InChIKeyQTJOXIQALVLMKP-UHFFFAOYSA-N
MW396.40 g/mol
LogP4.87
Rot. Bonds5

About 4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid

4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid (PubChem CID 155920059) has the molecular formula C24H16N2O4 and a molecular weight of 396.40 g/mol. Its IUPAC name is 4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid
PubChem CID155920059
Molecular FormulaC24H16N2O4
Molecular Weight396.40 g/mol
Exact Mass396.11
IUPAC Name4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)nc(-c3cccnc3)c2)cc1
InChIInChI=1S/C24H16N2O4/c27-23(28)17-7-3-15(4-8-17)20-12-21(16-5-9-18(10-6-16)24(29)30)26-22(13-20)19-2-1-11-25-14-19/h1-14H,(H,27,28)(H,29,30)
InChIKeyQTJOXIQALVLMKP-UHFFFAOYSA-N
XLogP4.87
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid?
The IUPAC name of 4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid (CID 155920059) is 4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid?
The canonical SMILES for 4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid is O=C(O)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)nc(-c3cccnc3)c2)cc1.
What is the InChIKey of 4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid?
The InChIKey is QTJOXIQALVLMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O4/c27-23(28)17-7-3-15(4-8-17)20-12-21(16-5-9-18(10-6-16)24(29)30)26-22(13-20)19-2-1-11-25-14-19/h1-14H,(H,27,28)(H,29,30).
What are the key properties of 4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid?
4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid has a molecular weight of 396.40 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-carboxyphenyl)-6-pyridin-3-yl-4-pyridinyl]benzoic acid is sourced from PubChem (CID 155920059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).