5-bromo-2,7-dimethylpyrazolo[3,4-c]pyridine

C8H8BrN3 — CID 139026808

IUPAC5-bromo-2,7-dimethylpyrazolo[3,4-c]pyridine
SMILESCc1nc(Br)cc2cn(C)nc12
InChIInChI=1S/C8H8BrN3/c1-5-8-6(3-7(9)10-5)4-12(2)11-8/h3-4H,1-2H3
InChIKeyZSUSHPWBPHRRTN-UHFFFAOYSA-N
MW226.08 g/mol
LogP2.04
Rot. Bonds

About 5-bromo-2,7-dimethylpyrazolo[3,4-c]pyridine

5-bromo-2,7-dimethylpyrazolo[3,4-c]pyridine (PubChem CID 139026808) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 5-bromo-2,7-dimethylpyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-bromo-2,7-dimethylpyrazolo[3,4-c]pyridine
PubChem CID139026808
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name5-bromo-2,7-dimethylpyrazolo[3,4-c]pyridine
SMILESCc1nc(Br)cc2cn(C)nc12
InChIInChI=1S/C8H8BrN3/c1-5-8-6(3-7(9)10-5)4-12(2)11-8/h3-4H,1-2H3
InChIKeyZSUSHPWBPHRRTN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,7-dimethylpyrazolo[3,4-c]pyridine?
The IUPAC name of 5-bromo-2,7-dimethylpyrazolo[3,4-c]pyridine (CID 139026808) is 5-bromo-2,7-dimethylpyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-bromo-2,7-dimethylpyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-bromo-2,7-dimethylpyrazolo[3,4-c]pyridine is Cc1nc(Br)cc2cn(C)nc12.
What is the InChIKey of 5-bromo-2,7-dimethylpyrazolo[3,4-c]pyridine?
The InChIKey is ZSUSHPWBPHRRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-5-8-6(3-7(9)10-5)4-12(2)11-8/h3-4H,1-2H3.
What are the key properties of 5-bromo-2,7-dimethylpyrazolo[3,4-c]pyridine?
5-bromo-2,7-dimethylpyrazolo[3,4-c]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 5-bromo-2,7-dimethylpyrazolo[3,4-c]pyridine is sourced from PubChem (CID 139026808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).