3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine

C7H6BrN3 — CID 71367752

IUPAC3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine
SMILESCc1ccc2c(n1)N=NC2Br
InChIInChI=1S/C7H6BrN3/c1-4-2-3-5-6(8)10-11-7(5)9-4/h2-3,6H,1H3
InChIKeyMHOBCLGKSCKEHV-UHFFFAOYSA-N
MW212.05 g/mol
LogP2.88
Rot. Bonds

About 3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine

3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine (PubChem CID 71367752) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine
PubChem CID71367752
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine
SMILESCc1ccc2c(n1)N=NC2Br
InChIInChI=1S/C7H6BrN3/c1-4-2-3-5-6(8)10-11-7(5)9-4/h2-3,6H,1H3
InChIKeyMHOBCLGKSCKEHV-UHFFFAOYSA-N
XLogP2.88
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine (CID 71367752) is 3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine is Cc1ccc2c(n1)N=NC2Br.
What is the InChIKey of 3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine?
The InChIKey is MHOBCLGKSCKEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c1-4-2-3-5-6(8)10-11-7(5)9-4/h2-3,6H,1H3.
What are the key properties of 3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine?
3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine has a molecular weight of 212.05 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 71367752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).