5-bromo-3-methyl-2H-pyrazolo[3,4-c]pyridine

C7H6BrN3 — CID 25222947

IUPAC5-bromo-3-methyl-2H-pyrazolo[3,4-c]pyridine
SMILESCc1[nH]nc2cnc(Br)cc12
InChIInChI=1S/C7H6BrN3/c1-4-5-2-7(8)9-3-6(5)11-10-4/h2-3H,1H3,(H,10,11)
InChIKeyOPJNRVAWKYSENX-UHFFFAOYSA-N
MW212.05 g/mol
LogP2.03
Rot. Bonds

About 5-bromo-3-methyl-2H-pyrazolo[3,4-c]pyridine

5-bromo-3-methyl-2H-pyrazolo[3,4-c]pyridine (PubChem CID 25222947) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 5-bromo-3-methyl-2H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-bromo-3-methyl-2H-pyrazolo[3,4-c]pyridine
PubChem CID25222947
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name5-bromo-3-methyl-2H-pyrazolo[3,4-c]pyridine
SMILESCc1[nH]nc2cnc(Br)cc12
InChIInChI=1S/C7H6BrN3/c1-4-5-2-7(8)9-3-6(5)11-10-4/h2-3H,1H3,(H,10,11)
InChIKeyOPJNRVAWKYSENX-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3-methyl-2H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-bromo-3-methyl-2H-pyrazolo[3,4-c]pyridine (CID 25222947) is 5-bromo-3-methyl-2H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-bromo-3-methyl-2H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-bromo-3-methyl-2H-pyrazolo[3,4-c]pyridine is Cc1[nH]nc2cnc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-2H-pyrazolo[3,4-c]pyridine?
The InChIKey is OPJNRVAWKYSENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c1-4-5-2-7(8)9-3-6(5)11-10-4/h2-3H,1H3,(H,10,11).
What are the key properties of 5-bromo-3-methyl-2H-pyrazolo[3,4-c]pyridine?
5-bromo-3-methyl-2H-pyrazolo[3,4-c]pyridine has a molecular weight of 212.05 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 25222947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).