3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine

C8H8BrN3 — CID 170904448

IUPAC3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cc2c(Br)[nH]nc2nc1C
InChIInChI=1S/C8H8BrN3/c1-4-3-6-7(9)11-12-8(6)10-5(4)2/h3H,1-2H3,(H,10,11,12)
InChIKeyHCIPEUSAQNHSTJ-UHFFFAOYSA-N
MW226.08 g/mol
LogP2.34
Rot. Bonds

About 3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine

3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 170904448) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine
PubChem CID170904448
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cc2c(Br)[nH]nc2nc1C
InChIInChI=1S/C8H8BrN3/c1-4-3-6-7(9)11-12-8(6)10-5(4)2/h3H,1-2H3,(H,10,11,12)
InChIKeyHCIPEUSAQNHSTJ-UHFFFAOYSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine (CID 170904448) is 3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine is Cc1cc2c(Br)[nH]nc2nc1C.
What is the InChIKey of 3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is HCIPEUSAQNHSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-4-3-6-7(9)11-12-8(6)10-5(4)2/h3H,1-2H3,(H,10,11,12).
What are the key properties of 3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine?
3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 226.08 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 170904448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).