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

C17H11N3O4 — CID 22355148

IUPAC6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1
InChIInChI=1S/C17H11N3O4/c21-16(22)14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(20-13)17(23)24/h1-9H,(H,21,22)(H,23,24)
InChIKeyIBKNKOTZIPJEKR-UHFFFAOYSA-N
MW321.29 g/mol
LogP2.60
Rot. Bonds4

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

6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 22355148) has the molecular formula C17H11N3O4 and a molecular weight of 321.29 g/mol. Its IUPAC name is 6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid
PubChem CID22355148
Molecular FormulaC17H11N3O4
Molecular Weight321.29 g/mol
Exact Mass321.07
IUPAC Name6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1
InChIInChI=1S/C17H11N3O4/c21-16(22)14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(20-13)17(23)24/h1-9H,(H,21,22)(H,23,24)
InChIKeyIBKNKOTZIPJEKR-UHFFFAOYSA-N
XLogP2.60
TPSA113.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid (CID 22355148) is 6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.
What is the InChIKey of 6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is IBKNKOTZIPJEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O4/c21-16(22)14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(20-13)17(23)24/h1-9H,(H,21,22)(H,23,24).
What are the key properties of 6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid?
6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 321.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 22355148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).