3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid

C13H11N3O3 — CID 55121412

IUPAC3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1Oc1ncnc2c1CCC2
InChIInChI=1S/C13H11N3O3/c17-13(18)11-10(5-2-6-14-11)19-12-8-3-1-4-9(8)15-7-16-12/h2,5-7H,1,3-4H2,(H,17,18)
InChIKeyWCTNDJDFXQFPAG-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.85
Rot. Bonds3

About 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid

3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid (PubChem CID 55121412) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid
PubChem CID55121412
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1Oc1ncnc2c1CCC2
InChIInChI=1S/C13H11N3O3/c17-13(18)11-10(5-2-6-14-11)19-12-8-3-1-4-9(8)15-7-16-12/h2,5-7H,1,3-4H2,(H,17,18)
InChIKeyWCTNDJDFXQFPAG-UHFFFAOYSA-N
XLogP1.85
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid (CID 55121412) is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid is O=C(O)c1ncccc1Oc1ncnc2c1CCC2.
What is the InChIKey of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid?
The InChIKey is WCTNDJDFXQFPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-13(18)11-10(5-2-6-14-11)19-12-8-3-1-4-9(8)15-7-16-12/h2,5-7H,1,3-4H2,(H,17,18).
What are the key properties of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid?
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 55121412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).