6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine

C8H8BrN3 — CID 84725752

IUPAC6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine
SMILESCc1nn(C)c2cc(Br)cnc12
InChIInChI=1S/C8H8BrN3/c1-5-8-7(12(2)11-5)3-6(9)4-10-8/h3-4H,1-2H3
InChIKeyHOGKPEUPMSQGIA-UHFFFAOYSA-N
MW226.08 g/mol
LogP2.04
Rot. Bonds

About 6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine

6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine (PubChem CID 84725752) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine
PubChem CID84725752
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine
SMILESCc1nn(C)c2cc(Br)cnc12
InChIInChI=1S/C8H8BrN3/c1-5-8-7(12(2)11-5)3-6(9)4-10-8/h3-4H,1-2H3
InChIKeyHOGKPEUPMSQGIA-UHFFFAOYSA-N
XLogP2.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine?
The IUPAC name of 6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine (CID 84725752) is 6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine is Cc1nn(C)c2cc(Br)cnc12.
What is the InChIKey of 6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine?
The InChIKey is HOGKPEUPMSQGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-5-8-7(12(2)11-5)3-6(9)4-10-8/h3-4H,1-2H3.
What are the key properties of 6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine?
6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine has a molecular weight of 226.08 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dimethylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 84725752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).