6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid

C24H17N3O5 — CID 10764941

IUPAC6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2cc(-c3cccc(C(=O)O)n3)nc(-c3cccc(C(=O)O)n3)c2)cc1
InChIInChI=1S/C24H17N3O5/c1-32-16-10-8-14(9-11-16)15-12-21(17-4-2-6-19(25-17)23(28)29)27-22(13-15)18-5-3-7-20(26-18)24(30)31/h2-13H,1H3,(H,28,29)(H,30,31)
InChIKeyQPDWMFZYGWDXNF-UHFFFAOYSA-N
MW427.42 g/mol
LogP4.28
Rot. Bonds6

About 6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid

6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 10764941) has the molecular formula C24H17N3O5 and a molecular weight of 427.42 g/mol. Its IUPAC name is 6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid
PubChem CID10764941
Molecular FormulaC24H17N3O5
Molecular Weight427.42 g/mol
Exact Mass427.12
IUPAC Name6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2cc(-c3cccc(C(=O)O)n3)nc(-c3cccc(C(=O)O)n3)c2)cc1
InChIInChI=1S/C24H17N3O5/c1-32-16-10-8-14(9-11-16)15-12-21(17-4-2-6-19(25-17)23(28)29)27-22(13-15)18-5-3-7-20(26-18)24(30)31/h2-13H,1H3,(H,28,29)(H,30,31)
InChIKeyQPDWMFZYGWDXNF-UHFFFAOYSA-N
XLogP4.28
TPSA122.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid (CID 10764941) is 6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid is COc1ccc(-c2cc(-c3cccc(C(=O)O)n3)nc(-c3cccc(C(=O)O)n3)c2)cc1.
What is the InChIKey of 6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is QPDWMFZYGWDXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O5/c1-32-16-10-8-14(9-11-16)15-12-21(17-4-2-6-19(25-17)23(28)29)27-22(13-15)18-5-3-7-20(26-18)24(30)31/h2-13H,1H3,(H,28,29)(H,30,31).
What are the key properties of 6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid?
6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 427.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(6-carboxy-2-pyridinyl)-4-(4-methoxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10764941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).