5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

• CAS: 849068-61-7
• Catalog Number: ACM849068617
• Category: Bromine Series
• Molecular Weight: 241.04
• Molecular Formula: C8H5BrN2O2
• Synonyms: 5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid, 849068-61-7, 5-BROMO-7-AZAINDOLE-3-CARBOXYLIC ACID, AG-H-40077, PubChem15009, ACMC-209vz4, SureCN4828101, CTK5F3476, MolPort-005-957-129, AC1Q7412, ANW-45710, AKOS015834499, PB14782, RP09247, AK-27430, KB-41822, AM20061540, FT-0650450, W8763, A-6618
• IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
• Canonical SMILES: C1=C2C(=CNC2=NC=C1Br)C(=O)O
• InChI Key: AFVRLQXVTZZPGE-UHFFFAOYSA-N
• Density: 1.946g/cm³
• Exact Mass: 239.95300
• Hazard Statements: Xi
• H-Bond Acceptor: 3
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?

The molecular formula is C8H5BrN2O2.

What is the molecular weight of 5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?

The molecular weight is 241.04 g/mol.

What is the IUPAC name of 5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?

The IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

What is the InChI of 5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?

The InChI is InChI=1S/C8H5BrN2O2/c9-4-1-5-6(8(12)13)3-11-7(5)10-2-4/h1-3H,(H,10,11)(H,12,13).

What is the InChIKey of 5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?

The InChIKey is AFVRLQXVTZZPGE-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?

The canonical SMILES is C1=C(C=NC2=C1C(=CN2)C(=O)O)Br.

What is the CAS number of 5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?

The CAS number is 849068-61-7.

How many hydrogen bond donor counts does 5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid have?

It has 3 hydrogen bond acceptor counts.