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

C12H8N2O5 — CID 139078129

IUPAC6-[(6-carboxy-2-pyridinyl)oxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Oc2cccc(C(=O)O)n2)n1
InChIInChI=1S/C12H8N2O5/c15-11(16)7-3-1-5-9(13-7)19-10-6-2-4-8(14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyGUAXCNDANROBNU-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.67
Rot. Bonds4

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

6-[(6-carboxy-2-pyridinyl)oxy]pyridine-2-carboxylic acid (PubChem CID 139078129) has the molecular formula C12H8N2O5 and a molecular weight of 260.21 g/mol. Its IUPAC name is 6-[(6-carboxy-2-pyridinyl)oxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-carboxy-2-pyridinyl)oxy]pyridine-2-carboxylic acid
PubChem CID139078129
Molecular FormulaC12H8N2O5
Molecular Weight260.21 g/mol
Exact Mass260.04
IUPAC Name6-[(6-carboxy-2-pyridinyl)oxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Oc2cccc(C(=O)O)n2)n1
InChIInChI=1S/C12H8N2O5/c15-11(16)7-3-1-5-9(13-7)19-10-6-2-4-8(14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyGUAXCNDANROBNU-UHFFFAOYSA-N
XLogP1.67
TPSA109.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-carboxy-2-pyridinyl)oxy]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(6-carboxy-2-pyridinyl)oxy]pyridine-2-carboxylic acid (CID 139078129) is 6-[(6-carboxy-2-pyridinyl)oxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-carboxy-2-pyridinyl)oxy]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(6-carboxy-2-pyridinyl)oxy]pyridine-2-carboxylic acid is O=C(O)c1cccc(Oc2cccc(C(=O)O)n2)n1.
What is the InChIKey of 6-[(6-carboxy-2-pyridinyl)oxy]pyridine-2-carboxylic acid?
The InChIKey is GUAXCNDANROBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O5/c15-11(16)7-3-1-5-9(13-7)19-10-6-2-4-8(14-10)12(17)18/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 6-[(6-carboxy-2-pyridinyl)oxy]pyridine-2-carboxylic acid?
6-[(6-carboxy-2-pyridinyl)oxy]pyridine-2-carboxylic acid has a molecular weight of 260.21 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-carboxy-2-pyridinyl)oxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 139078129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).