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

• CAS: 1150617-98-3
• Catalog Number: ACM1150617983
• Category: Bromine Series
• Molecular Weight: 269.094660 [g/mol]
• Molecular Formula: C10H9BrN2O2
• Synonyms: 1150617-98-3, 2-Bromo-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester, ethyl 2-bromo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate, PubChem18027, SureCN13387107, CTK4A9162, SBB069344, ZINC32915238, AKOS015843469, AG-L-19412, QC-8339, KB-68214, FT-0654753, A803326, S14-0173, ethyl 2-bromanyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
• IUPAC Name: ethyl 2-bromo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
• Canonical SMILES: CCOC(=O)C1=CN=C2C(=C1)C=C(N2)Br
• InChI Key: REVHXMWWZZOASC-UHFFFAOYSA-N
• Exact Mass: 267.98500
• H-Bond Acceptor: 3
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H9BrN2O2.

What are the synonyms of the compound?

The synonyms of the compound are 1150617-98-3, ethyl 2-bromo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate, and 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 2-bromo-, ethyl ester.

What is the molecular weight of the compound?

The molecular weight of the compound is 269.09 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is ethyl 2-bromo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H9BrN2O2/c1-2-15-10(14)7-3-6-4-8(11)13-9(6)12-5-7/h3-5H,2H2,1H3,(H,12,13).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCOC(=O)C1=CN=C2C(=C1)C=C(N2)Br.

What is the CAS number of the compound?

The CAS number of the compound is 1150617-98-3.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 1.

Is the compound canonicalized?

Yes, the compound is canonicalized.