6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine

C9H10BrN3 — CID 84727963

IUPAC6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine
SMILESCC(C)n1ncc2ncc(Br)cc21
InChIInChI=1S/C9H10BrN3/c1-6(2)13-9-3-7(10)4-11-8(9)5-12-13/h3-6H,1-2H3
InChIKeyAJJSFVYHVCYYBW-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.77
Rot. Bonds1

About 6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine

6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine (PubChem CID 84727963) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine
PubChem CID84727963
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine
SMILESCC(C)n1ncc2ncc(Br)cc21
InChIInChI=1S/C9H10BrN3/c1-6(2)13-9-3-7(10)4-11-8(9)5-12-13/h3-6H,1-2H3
InChIKeyAJJSFVYHVCYYBW-UHFFFAOYSA-N
XLogP2.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine?
The IUPAC name of 6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine (CID 84727963) is 6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine is CC(C)n1ncc2ncc(Br)cc21.
What is the InChIKey of 6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine?
The InChIKey is AJJSFVYHVCYYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-6(2)13-9-3-7(10)4-11-8(9)5-12-13/h3-6H,1-2H3.
What are the key properties of 6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine?
6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine has a molecular weight of 240.10 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 84727963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).