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

• Catalog Number: ACM800401712
• Product Name: 5-Bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
• CAS: 800401-71-2
• Category: Bromine Series
• Synonyms: 5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid, 800401-71-2, 5-bromo-1H-pyrrolo[2,3-c] pyridine-2-carboxylic acid, PubChem14359, CTK3E6260, ANW-53640, AKOS015855863, AG-I-03448, RP28401, AK-57018, BR-57018, KB-41824, QC-10248, A9942, BB 0262294, FT-0682335, W8527, I14-8543, 5-bromo-1H-pyrrolo(2,3-c)pyridine-2-carboxylicacid, 1H-Pyrrolo[2,3-c]pyridine-2-carboxylicacid, 5-bromo-
• IUPAC Name: 5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
• Molecular Weight: 241.05
• Molecular Formula: C8H5N2O2Br
• Canonical SMILES: C1=C2C=C(NC2=CN=C1Br)C(=O)O
• InChI Key: NNWNNQTUZYVQRK-UHFFFAOYSA-N
• Boiling Point: 523.965ºC at 760 mmHg
• Flash Point: 270.684ºC
• Density: 1.947 g/cm³
• Exact Mass: 239.95300
• H-Bond Acceptor: 3
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C8H5BrN2O2.

What are the synonyms for the compound?

The synonyms for the compound are: 5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid, 800401-71-2, MFCD12024580, 5-bromo-1H-pyrrolo[2,3-c] pyridine-2-carboxylic acid, 5-bromo-1H-pyrrolo(2,3-c)pyridine-2-carboxylicacid.

What is the molecular weight of the compound?

The molecular weight of the compound is 241.04 g/mol.

When was the compound created and modified?

The compound was created on August 6, 2010, and modified on December 2, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid.

What is the InChI of the compound?

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

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=C2C=C(NC2=CN=C1Br)C(=O)O.

What is the CAS number of the compound?

The CAS number of the compound is 800401-71-2.

Is the compound canonicalized?

Yes, the compound is canonicalized.