5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid

C14H8BrFN2O2 — CID 73425161

IUPAC5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(F)cc2)nn2ccc(Br)cc12
InChIInChI=1S/C14H8BrFN2O2/c15-9-5-6-18-11(7-9)12(14(19)20)13(17-18)8-1-3-10(16)4-2-8/h1-7H,(H,19,20)
InChIKeyXSTOINNOGCFTQN-UHFFFAOYSA-N
MW335.13 g/mol
LogP3.60
Rot. Bonds2

About 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid

5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 73425161) has the molecular formula C14H8BrFN2O2 and a molecular weight of 335.13 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID73425161
Molecular FormulaC14H8BrFN2O2
Molecular Weight335.13 g/mol
Exact Mass333.98
IUPAC Name5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(F)cc2)nn2ccc(Br)cc12
InChIInChI=1S/C14H8BrFN2O2/c15-9-5-6-18-11(7-9)12(14(19)20)13(17-18)8-1-3-10(16)4-2-8/h1-7H,(H,19,20)
InChIKeyXSTOINNOGCFTQN-UHFFFAOYSA-N
XLogP3.60
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 73425161) is 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid is O=C(O)c1c(-c2ccc(F)cc2)nn2ccc(Br)cc12.
What is the InChIKey of 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is XSTOINNOGCFTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O2/c15-9-5-6-18-11(7-9)12(14(19)20)13(17-18)8-1-3-10(16)4-2-8/h1-7H,(H,19,20).
What are the key properties of 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 335.13 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 73425161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).