6-Bromo-4H-imidazo[4,5-b]pyridine

• CAS: 28279-49-4
• Catalog Number: ACM28279494
• Category: Other
• Molecular Weight: 198.02006
• Molecular Formula: C₆H₄BrN₃
• Synonyms: MLS000767375, STOCK1S-19485, STOCK2S-17133, MolPort-000-149-931, MolPort-000-515-424, CID911578, ZINC00495190, ZINC13635304, 6-Bromo-1H-imidazo[4,5-b]pyridine, 6-Bromo-4H-imidazo[4,5-b]pyridine, FS000626, SMR000429706, 28279-49-4
• IUPAC Name: 6-bromo-1H-imidazo[4,5-b]pyridine
• Canonical SMILES: C1=C2C(=NC=C1Br)N=CN2
• InChI Key: XPHWCAKVRKUXLK-UHFFFAOYSA-N
• Boiling Point: 415.7ºC at 760 mmHg
• Flash Point: 205.2ºC
• Density: 1.894g/cm³
• Exact Mass: 196.95900
• H-Bond Acceptor: 2
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of 6-Bromo-4H-imidazo[4,5-b]pyridine?

The molecular formula is C6H4BrN3.

When was 6-Bromo-4H-imidazo[4,5-b]pyridine first created in PubChem?

It was first created on July 9, 2005.

What is the canonical SMILES representation of 6-Bromo-4H-imidazo[4,5-b]pyridine?

The canonical SMILES is C1=C(C=NC2=C1NC=N2)Br.

How many hydrogen bond donor counts does 6-Bromo-4H-imidazo[4,5-b]pyridine have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of 6-Bromo-4H-imidazo[4,5-b]pyridine?

The topological polar surface area is 41.6Ų.

What is the exact mass of 6-Bromo-4H-imidazo[4,5-b]pyridine?

The exact mass is 196.95886 g/mol.

What is the XLogP3-AA value for 6-Bromo-4H-imidazo[4,5-b]pyridine?

The XLogP3-AA value is 1.4.

Does 6-Bromo-4H-imidazo[4,5-b]pyridine have any defined atom stereocenter count?

No, it has 0 defined atom stereocenter count.

What is the European Community (EC) Number for 6-Bromo-4H-imidazo[4,5-b]pyridine?

The EC Number is 664-322-9.

Is 6-Bromo-4H-imidazo[4,5-b]pyridine considered a canonicalized compound according to PubChem?

Yes, it is considered a canonicalized compound.