2-bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine

C19H25Br3N4O2 — CID 159958963

About 2-bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine

2-bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine (PubChem CID 159958963) has the molecular formula C19H25Br3N4O2 and a molecular weight of 581.15 g/mol. Its IUPAC name is 2-bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine.

Molecular Properties

• Compound Name: 2-bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine
• PubChem CID: 159958963
• Molecular Formula: C19H25Br3N4O2
• Molecular Weight: 581.15 g/mol
• Exact Mass: 577.95
• IUPAC Name: 2-bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine
• SMILES: CCOC(OC)C(C)Br.Cc1cnc2ccc(Br)cn12.Nc1ccc(Br)cn1
• InChI: InChI=1S/C8H7BrN2.C6H13BrO2.C5H5BrN2/c1-6-4-10-8-3-2-7(9)5-11(6)8;1-4-9-6(8-3)5(2)7;6-4-1-2-5(7)8-3-4/h2-5H,1H3;5-6H,4H2,1-3H3;1-3H,(H2,7,8)
• InChIKey: ODBPAXBTOOBZPH-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 74.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.15
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine?

The IUPAC name of 2-bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine (CID 159958963) is 2-bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine.

What is the SMILES notation for 2-bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine?

The canonical SMILES for 2-bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine is CCOC(OC)C(C)Br.Cc1cnc2ccc(Br)cn12.Nc1ccc(Br)cn1.

What is the InChIKey of 2-bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine?

The InChIKey is ODBPAXBTOOBZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2.C6H13BrO2.C5H5BrN2/c1-6-4-10-8-3-2-7(9)5-11(6)8;1-4-9-6(8-3)5(2)7;6-4-1-2-5(7)8-3-4/h2-5H,1H3;5-6H,4H2,1-3H3;1-3H,(H2,7,8).

What are the key properties of 2-bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine?

2-bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine has a molecular weight of 581.15 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine is sourced from PubChem (CID 159958963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).