3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine

• CAS: 1000340-39-5
• Catalog Number: ACM1000340395
• Category: Bromine Series
• Molecular Weight: 231.48
• Molecular Formula: C₇H₄BrClN₂
• Synonyms: 1H-Pyrrolo[2,3-b]pyridine, 3-bromo-4-chloro-;3-BROMO-4-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE;3-BROMO-4-CHLORO-7-AZAINDOLE
• IUPAC Name: 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine
• Canonical SMILES: C1=CN=C2C(=C1Cl)C(=CN2)Br
• InChI Key: QLGXTRWCWHBPDP-UHFFFAOYSA-N
• Boiling Point: 350.468ºC at 760 mmHg
• Melting Point: 214-215ºC
• Flash Point: 165.757ºC
• Density: 1.878
• Exact Mass: 229.92500
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Specific Gravity: 1.878g/mL

Custom Q&A

What is the molecular formula of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The molecular formula is C7H4BrClN2.

What is the molecular weight of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The molecular weight is 231.48 g/mol.

What is the IUPAC name of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name is 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine.

What is the InChI of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The InChI is: InChI=1S/C7H4BrClN2/c8-4-3-11-7-6(4)5(9)1-2-10-7/h1-3H,(H,10,11).

What is the InChIKey of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is QLGXTRWCWHBPDP-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES is C1=CN=C2C(=C1Cl)C(=CN2)Br.

What is the CAS number of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The CAS number is 1000340-39-5.

What is the XLogP3-AA value of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The XLogP3-AA value is 2.6.

Is 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine a canonicalized compound?

Yes, the compound is canonicalized.