6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid

C24H15N3O6 — CID 132543308

IUPAC6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccc(C(=O)O)cn3)nc(-c3ccc(C(=O)O)cn3)c2)cc1
InChIInChI=1S/C24H15N3O6/c28-22(29)14-3-1-13(2-4-14)17-9-20(18-7-5-15(11-25-18)23(30)31)27-21(10-17)19-8-6-16(12-26-19)24(32)33/h1-12H,(H,28,29)(H,30,31)(H,32,33)
InChIKeyYZFVOGZUXJGMED-UHFFFAOYSA-N
MW441.40 g/mol
LogP3.97
Rot. Bonds6

About 6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid

6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid (PubChem CID 132543308) has the molecular formula C24H15N3O6 and a molecular weight of 441.40 g/mol. Its IUPAC name is 6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid
PubChem CID132543308
Molecular FormulaC24H15N3O6
Molecular Weight441.40 g/mol
Exact Mass441.10
IUPAC Name6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccc(C(=O)O)cn3)nc(-c3ccc(C(=O)O)cn3)c2)cc1
InChIInChI=1S/C24H15N3O6/c28-22(29)14-3-1-13(2-4-14)17-9-20(18-7-5-15(11-25-18)23(30)31)27-21(10-17)19-8-6-16(12-26-19)24(32)33/h1-12H,(H,28,29)(H,30,31)(H,32,33)
InChIKeyYZFVOGZUXJGMED-UHFFFAOYSA-N
XLogP3.97
TPSA150.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid (CID 132543308) is 6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cc(-c3ccc(C(=O)O)cn3)nc(-c3ccc(C(=O)O)cn3)c2)cc1.
What is the InChIKey of 6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid?
The InChIKey is YZFVOGZUXJGMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O6/c28-22(29)14-3-1-13(2-4-14)17-9-20(18-7-5-15(11-25-18)23(30)31)27-21(10-17)19-8-6-16(12-26-19)24(32)33/h1-12H,(H,28,29)(H,30,31)(H,32,33).
What are the key properties of 6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid?
6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid has a molecular weight of 441.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-carboxyphenyl)-6-(5-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 132543308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).