4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate

C25H24Br3ClN8O4 — CID 161018045

About 4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate

4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 161018045) has the molecular formula C25H24Br3ClN8O4 and a molecular weight of 775.68 g/mol. Its IUPAC name is 4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate
• PubChem CID: 161018045
• Molecular Formula: C25H24Br3ClN8O4
• Molecular Weight: 775.68 g/mol
• Exact Mass: 771.92
• IUPAC Name: 4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate
• SMILES: CCOC(=O)c1cn2c(Cl)cc(Br)cc2n1.CCOC(=O)c1cn2c(N)cc(Br)cc2n1.Nc1cc(Br)cc(N)n1
• InChI: InChI=1S/C10H8BrClN2O2.C10H10BrN3O2.C5H6BrN3/c2*1-2-16-10(15)7-5-14-8(12)3-6(11)4-9(14)13-7;6-3-1-4(7)9-5(8)2-3/h3-5H,2H2,1H3;3-5H,2,12H2,1H3;1-2H,(H4,7,8,9)
• InChIKey: TXZFRLFMAKJCKO-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 178.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	775.68
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate?

The IUPAC name of 4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate (CID 161018045) is 4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate.

What is the SMILES notation for 4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate?

The canonical SMILES for 4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2c(Cl)cc(Br)cc2n1.CCOC(=O)c1cn2c(N)cc(Br)cc2n1.Nc1cc(Br)cc(N)n1.

What is the InChIKey of 4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate?

The InChIKey is TXZFRLFMAKJCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O2.C10H10BrN3O2.C5H6BrN3/c2*1-2-16-10(15)7-5-14-8(12)3-6(11)4-9(14)13-7;6-3-1-4(7)9-5(8)2-3/h3-5H,2H2,1H3;3-5H,2,12H2,1H3;1-2H,(H4,7,8,9).

What are the key properties of 4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate?

4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 775.68 g/mol, XLogP of 5.79, 4 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 161018045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).