3-bromo-5-phenylpyrazolo[1,5-a]pyridine

C13H9BrN2 — CID 71741646

IUPAC3-bromo-5-phenylpyrazolo[1,5-a]pyridine
SMILESBrc1cnn2ccc(-c3ccccc3)cc12
InChIInChI=1S/C13H9BrN2/c14-12-9-15-16-7-6-11(8-13(12)16)10-4-2-1-3-5-10/h1-9H
InChIKeyZUPUNVCVCLXJPU-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.76
Rot. Bonds1

About 3-bromo-5-phenylpyrazolo[1,5-a]pyridine

3-bromo-5-phenylpyrazolo[1,5-a]pyridine (PubChem CID 71741646) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-bromo-5-phenylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-bromo-5-phenylpyrazolo[1,5-a]pyridine
PubChem CID71741646
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name3-bromo-5-phenylpyrazolo[1,5-a]pyridine
SMILESBrc1cnn2ccc(-c3ccccc3)cc12
InChIInChI=1S/C13H9BrN2/c14-12-9-15-16-7-6-11(8-13(12)16)10-4-2-1-3-5-10/h1-9H
InChIKeyZUPUNVCVCLXJPU-UHFFFAOYSA-N
XLogP3.76
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-phenylpyrazolo[1,5-a]pyridine?
The IUPAC name of 3-bromo-5-phenylpyrazolo[1,5-a]pyridine (CID 71741646) is 3-bromo-5-phenylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-bromo-5-phenylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-bromo-5-phenylpyrazolo[1,5-a]pyridine is Brc1cnn2ccc(-c3ccccc3)cc12.
What is the InChIKey of 3-bromo-5-phenylpyrazolo[1,5-a]pyridine?
The InChIKey is ZUPUNVCVCLXJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c14-12-9-15-16-7-6-11(8-13(12)16)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 3-bromo-5-phenylpyrazolo[1,5-a]pyridine?
3-bromo-5-phenylpyrazolo[1,5-a]pyridine has a molecular weight of 273.13 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-phenylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 71741646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).