3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid

C16H10N2O2 — CID 15158166

IUPAC3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid
SMILESO=C(O)C#Cc1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C16H10N2O2/c19-15(20)10-9-13-14-8-4-5-11-18(14)17-16(13)12-6-2-1-3-7-12/h1-8,11H,(H,19,20)
InChIKeyIKEPFXODOUBXLD-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.44
Rot. Bonds1

About 3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid

3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid (PubChem CID 15158166) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid.

Molecular Properties

Compound Name3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid
PubChem CID15158166
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid
SMILESO=C(O)C#Cc1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C16H10N2O2/c19-15(20)10-9-13-14-8-4-5-11-18(14)17-16(13)12-6-2-1-3-7-12/h1-8,11H,(H,19,20)
InChIKeyIKEPFXODOUBXLD-UHFFFAOYSA-N
XLogP2.44
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid?
The IUPAC name of 3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid (CID 15158166) is 3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid.
What is the SMILES notation for 3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid?
The canonical SMILES for 3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid is O=C(O)C#Cc1c(-c2ccccc2)nn2ccccc12.
What is the InChIKey of 3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid?
The InChIKey is IKEPFXODOUBXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-15(20)10-9-13-14-8-4-5-11-18(14)17-16(13)12-6-2-1-3-7-12/h1-8,11H,(H,19,20).
What are the key properties of 3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid?
3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid has a molecular weight of 262.27 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-ynoic acid is sourced from PubChem (CID 15158166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).