4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid

C8H8N2O3 — CID 22605322

IUPAC4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCCC2=O
InChIInChI=1S/C8H8N2O3/c11-7-2-1-3-10-6(7)4-5(9-10)8(12)13/h4H,1-3H2,(H,12,13)
InChIKeyBTXPQDNIJCRMTQ-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.56
Rot. Bonds1

About 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid

4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 22605322) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID22605322
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCCC2=O
InChIInChI=1S/C8H8N2O3/c11-7-2-1-3-10-6(7)4-5(9-10)8(12)13/h4H,1-3H2,(H,12,13)
InChIKeyBTXPQDNIJCRMTQ-UHFFFAOYSA-N
XLogP0.56
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 22605322) is 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid is O=C(O)c1cc2n(n1)CCCC2=O.
What is the InChIKey of 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is BTXPQDNIJCRMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-7-2-1-3-10-6(7)4-5(9-10)8(12)13/h4H,1-3H2,(H,12,13).
What are the key properties of 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid?
4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 22605322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).