2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid

C23H15N3O4 — CID 102183000

IUPAC2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccccn3)nc(-c3cc(C(=O)O)ccn3)c2)cc1
InChIInChI=1S/C23H15N3O4/c27-22(28)15-6-4-14(5-7-15)17-12-20(18-3-1-2-9-24-18)26-21(13-17)19-11-16(23(29)30)8-10-25-19/h1-13H,(H,27,28)(H,29,30)
InChIKeyXDYYEZMPRDWVHK-UHFFFAOYSA-N
MW397.39 g/mol
LogP4.27
Rot. Bonds5

About 2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid

2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 102183000) has the molecular formula C23H15N3O4 and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid
PubChem CID102183000
Molecular FormulaC23H15N3O4
Molecular Weight397.39 g/mol
Exact Mass397.11
IUPAC Name2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccccn3)nc(-c3cc(C(=O)O)ccn3)c2)cc1
InChIInChI=1S/C23H15N3O4/c27-22(28)15-6-4-14(5-7-15)17-12-20(18-3-1-2-9-24-18)26-21(13-17)19-11-16(23(29)30)8-10-25-19/h1-13H,(H,27,28)(H,29,30)
InChIKeyXDYYEZMPRDWVHK-UHFFFAOYSA-N
XLogP4.27
TPSA113.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 118281877
2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
CID 164817157
4-[2-[4-(4-hydroxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136661911
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid (CID 102183000) is 2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid is O=C(O)c1ccc(-c2cc(-c3ccccn3)nc(-c3cc(C(=O)O)ccn3)c2)cc1.
What is the InChIKey of 2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid?
The InChIKey is XDYYEZMPRDWVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O4/c27-22(28)15-6-4-14(5-7-15)17-12-20(18-3-1-2-9-24-18)26-21(13-17)19-11-16(23(29)30)8-10-25-19/h1-13H,(H,27,28)(H,29,30).
What are the key properties of 2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid?
2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 397.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 102183000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).