5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid

C₉H₆BrN₃O₃ — CID 118470114

About 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid

5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 118470114) has the molecular formula C₉H₆BrN₃O₃ and a molecular weight of 284.07 g/mol. Its IUPAC name is 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid
• PubChem CID: 118470114
• Molecular Formula: C₉H₆BrN₃O₃
• Molecular Weight: 284.07 g/mol
• Exact Mass: 282.96
• IUPAC Name: 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid
• SMILES: Nc1ncc(Br)cc1-c1cc(C(=O)O)no1
• InChI: InChI=1S/C9H6BrN3O3/c10-4-1-5(8(11)12-3-4)7-2-6(9(14)15)13-16-7/h1-3H,(H2,11,12)(H,14,15)
• InChIKey: YUSYEKUDNPDLDE-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 102.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.07
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid?

The IUPAC name of 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid (CID 118470114) is 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid.

What is the SMILES notation for 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid?

The canonical SMILES for 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid is Nc1ncc(Br)cc1-c1cc(C(=O)O)no1.

What is the InChIKey of 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid?

The InChIKey is YUSYEKUDNPDLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O3/c10-4-1-5(8(11)12-3-4)7-2-6(9(14)15)13-16-7/h1-3H,(H2,11,12)(H,14,15).

What are the key properties of 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid?

5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 284.07 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 118470114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118470114 — identifiers, structure, computed properties (public domain)

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