[2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol

C30H18BrCl4F3N4O3 — CID 129216951

About [2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol

[2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 129216951) has the molecular formula C30H18BrCl4F3N4O3 and a molecular weight of 761.21 g/mol. Its IUPAC name is [2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

• Compound Name: [2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
• PubChem CID: 129216951
• Molecular Formula: C30H18BrCl4F3N4O3
• Molecular Weight: 761.21 g/mol
• Exact Mass: 757.93
• IUPAC Name: [2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
• SMILES: O=C(OCc1c(-c2ccc(Br)cc2)nc2ccc(Cl)cn12)C(F)(F)F.OCc1c(-c2ccc(Cl)cc2Cl)nc2cc(Cl)ccn12
• InChI: InChI=1S/C16H9BrClF3N2O2.C14H9Cl3N2O/c17-10-3-1-9(2-4-10)14-12(8-25-15(24)16(19,20)21)23-7-11(18)5-6-13(23)22-14;15-8-1-2-10(11(17)5-8)14-12(7-20)19-4-3-9(16)6-13(19)18-14/h1-7H,8H2;1-6,20H,7H2
• InChIKey: UZDLJERTXMXXCG-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 81.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.21
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol?

The IUPAC name of [2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol (CID 129216951) is [2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol.

What is the SMILES notation for [2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol?

The canonical SMILES for [2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol is O=C(OCc1c(-c2ccc(Br)cc2)nc2ccc(Cl)cn12)C(F)(F)F.OCc1c(-c2ccc(Cl)cc2Cl)nc2cc(Cl)ccn12.

What is the InChIKey of [2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol?

The InChIKey is UZDLJERTXMXXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClF3N2O2.C14H9Cl3N2O/c17-10-3-1-9(2-4-10)14-12(8-25-15(24)16(19,20)21)23-7-11(18)5-6-13(23)22-14;15-8-1-2-10(11(17)5-8)14-12(7-20)19-4-3-9(16)6-13(19)18-14/h1-7H,8H2;1-6,20H,7H2.

What are the key properties of [2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol?

[2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 761.21 g/mol, XLogP of 9.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 129216951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).