3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine

C13H9BrFN3 — CID 12018215

IUPAC3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESFc1ccccc1Cn1nc(Br)c2cccnc21
InChIInChI=1S/C13H9BrFN3/c14-12-10-5-3-7-16-13(10)18(17-12)8-9-4-1-2-6-11(9)15/h1-7H,8H2
InChIKeyJPFYAWVQBWPITD-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.38
Rot. Bonds2

About 3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine

3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine (PubChem CID 12018215) has the molecular formula C13H9BrFN3 and a molecular weight of 306.14 g/mol. Its IUPAC name is 3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
PubChem CID12018215
Molecular FormulaC13H9BrFN3
Molecular Weight306.14 g/mol
Exact Mass305.00
IUPAC Name3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESFc1ccccc1Cn1nc(Br)c2cccnc21
InChIInChI=1S/C13H9BrFN3/c14-12-10-5-3-7-16-13(10)18(17-12)8-9-4-1-2-6-11(9)15/h1-7H,8H2
InChIKeyJPFYAWVQBWPITD-UHFFFAOYSA-N
XLogP3.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine (CID 12018215) is 3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine is Fc1ccccc1Cn1nc(Br)c2cccnc21.
What is the InChIKey of 3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine?
The InChIKey is JPFYAWVQBWPITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3/c14-12-10-5-3-7-16-13(10)18(17-12)8-9-4-1-2-6-11(9)15/h1-7H,8H2.
What are the key properties of 3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine?
3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine has a molecular weight of 306.14 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 12018215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).