6-bromo-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid

C16H11BrClN5O3 — CID 118106748

About 6-bromo-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid

6-bromo-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (PubChem CID 118106748) has the molecular formula C16H11BrClN5O3 and a molecular weight of 436.65 g/mol. Its IUPAC name is 6-bromo-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-bromo-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
• PubChem CID: 118106748
• Molecular Formula: C16H11BrClN5O3
• Molecular Weight: 436.65 g/mol
• Exact Mass: 434.97
• IUPAC Name: 6-bromo-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
• SMILES: O=C(O)C1CCc2cc(-c3cc(Cl)ccc3-n3cnnn3)c(Br)c(=O)n21
• InChI: InChI=1S/C16H11BrClN5O3/c17-14-11(6-9-2-4-13(16(25)26)23(9)15(14)24)10-5-8(18)1-3-12(10)22-7-19-20-21-22/h1,3,5-7,13H,2,4H2,(H,25,26)
• InChIKey: NCYLMJDRCWIGKE-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 102.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.65
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?

The IUPAC name of 6-bromo-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (CID 118106748) is 6-bromo-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.

What is the SMILES notation for 6-bromo-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?

The canonical SMILES for 6-bromo-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is O=C(O)C1CCc2cc(-c3cc(Cl)ccc3-n3cnnn3)c(Br)c(=O)n21.

What is the InChIKey of 6-bromo-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?

The InChIKey is NCYLMJDRCWIGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN5O3/c17-14-11(6-9-2-4-13(16(25)26)23(9)15(14)24)10-5-8(18)1-3-12(10)22-7-19-20-21-22/h1,3,5-7,13H,2,4H2,(H,25,26).

What are the key properties of 6-bromo-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?

6-bromo-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid has a molecular weight of 436.65 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 118106748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).