6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate

C23H19Br3N6O4 — CID 158163360

About 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate

6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 158163360) has the molecular formula C23H19Br3N6O4 and a molecular weight of 683.15 g/mol. Its IUPAC name is 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate
• PubChem CID: 158163360
• Molecular Formula: C23H19Br3N6O4
• Molecular Weight: 683.15 g/mol
• Exact Mass: 679.90
• IUPAC Name: 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1cnc2ccc(Br)cn12.Nc1ccc(Br)cn1.O=C(O)c1cnc2ccc(Br)cn12
• InChI: InChI=1S/C10H9BrN2O2.C8H5BrN2O2.C5H5BrN2/c1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9;9-5-1-2-7-10-3-6(8(12)13)11(7)4-5;6-4-1-2-5(7)8-3-4/h3-6H,2H2,1H3;1-4H,(H,12,13);1-3H,(H2,7,8)
• InChIKey: FWNTVAMOHQSAHK-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 137.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.15
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate?

The IUPAC name of 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate (CID 158163360) is 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate.

What is the SMILES notation for 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate?

The canonical SMILES for 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(Br)cn12.Nc1ccc(Br)cn1.O=C(O)c1cnc2ccc(Br)cn12.

What is the InChIKey of 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate?

The InChIKey is FWNTVAMOHQSAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2.C8H5BrN2O2.C5H5BrN2/c1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9;9-5-1-2-7-10-3-6(8(12)13)11(7)4-5;6-4-1-2-5(7)8-3-4/h3-6H,2H2,1H3;1-4H,(H,12,13);1-3H,(H2,7,8).

What are the key properties of 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate?

6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 683.15 g/mol, XLogP of 5.49, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-bromopyridin-2-amine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 158163360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).