4-Bromo-1H-Pyrazolo[3,4-b]pyridine

• CAS: 856859-49-9
• Catalog Number: ACM856859499
• Category: Bromine Series
• Molecular Weight: 198.02
• Molecular Formula: C₆H₄BrN₃
• Synonyms: 4-bromo-1H-pyrazolo[3,4-b]pyridine
• IUPAC Name: 4-bromo-1H-pyrazolo[3,4-b]pyridine
• Canonical SMILES: C1=CN=C2C(=C1Br)C=NN2
• InChI Key: JVFQAGXECPOKFX-UHFFFAOYSA-N
• Boiling Point: 209ºC
• Flash Point: 80ºC
• Density: 2.00 g/cm³
• Exact Mass: 196.95900
• H-Bond Acceptor: 2
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of 4-Bromo-1H-Pyrazolo[3,4-b]pyridine?

The molecular formula is C6H4BrN3.

What is the molecular weight of 4-Bromo-1H-Pyrazolo[3,4-b]pyridine?

The molecular weight is 198.02 g/mol.

When was the compound created?

The compound was created on June 21, 2010.

When was the compound last modified?

The compound was last modified on December 2, 2023.

What is the IUPAC name of the compound?

The IUPAC name is 4-bromo-1H-pyrazolo[3,4-b]pyridine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C6H4BrN3/c7-5-1-2-8-6-4(5)3-9-10-6/h1-3H,(H,8,9,10).

What is the InChIKey of the compound?

The InChIKey of the compound is JVFQAGXECPOKFX-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1=CN=C2C(=C1Br)C=NN2.

What is the CAS number of the compound?

The CAS number is 856859-49-9.

Is the compound canonicalized?

Yes, the compound is canonicalized.