5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine

C9H10BrN3 — CID 150146840

IUPAC5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine
SMILESCCn1cc2cc(Br)c(C)nc2n1
InChIInChI=1S/C9H10BrN3/c1-3-13-5-7-4-8(10)6(2)11-9(7)12-13/h4-5H,3H2,1-2H3
InChIKeyFEKWFXKTKMIWLE-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.52
Rot. Bonds1

About 5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine

5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine (PubChem CID 150146840) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine
PubChem CID150146840
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine
SMILESCCn1cc2cc(Br)c(C)nc2n1
InChIInChI=1S/C9H10BrN3/c1-3-13-5-7-4-8(10)6(2)11-9(7)12-13/h4-5H,3H2,1-2H3
InChIKeyFEKWFXKTKMIWLE-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine?
The IUPAC name of 5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine (CID 150146840) is 5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine is CCn1cc2cc(Br)c(C)nc2n1.
What is the InChIKey of 5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine?
The InChIKey is FEKWFXKTKMIWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-3-13-5-7-4-8(10)6(2)11-9(7)12-13/h4-5H,3H2,1-2H3.
What are the key properties of 5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine?
5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine has a molecular weight of 240.10 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-6-methylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 150146840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).