3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid

C11H7N5O3 — CID 61396179

IUPAC3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1Oc1ncnc2nc[nH]c12
InChIInChI=1S/C11H7N5O3/c17-11(18)7-6(2-1-3-12-7)19-10-8-9(14-4-13-8)15-5-16-10/h1-5H,(H,17,18)(H,13,14,15,16)
InChIKeyVHXYGLANPXDZLN-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.24
Rot. Bonds3

About 3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid

3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid (PubChem CID 61396179) has the molecular formula C11H7N5O3 and a molecular weight of 257.21 g/mol. Its IUPAC name is 3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid
PubChem CID61396179
Molecular FormulaC11H7N5O3
Molecular Weight257.21 g/mol
Exact Mass257.05
IUPAC Name3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1Oc1ncnc2nc[nH]c12
InChIInChI=1S/C11H7N5O3/c17-11(18)7-6(2-1-3-12-7)19-10-8-9(14-4-13-8)15-5-16-10/h1-5H,(H,17,18)(H,13,14,15,16)
InChIKeyVHXYGLANPXDZLN-UHFFFAOYSA-N
XLogP1.24
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid (CID 61396179) is 3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid is O=C(O)c1ncccc1Oc1ncnc2nc[nH]c12.
What is the InChIKey of 3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid?
The InChIKey is VHXYGLANPXDZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O3/c17-11(18)7-6(2-1-3-12-7)19-10-8-9(14-4-13-8)15-5-16-10/h1-5H,(H,17,18)(H,13,14,15,16).
What are the key properties of 3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid?
3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid has a molecular weight of 257.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 61396179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).