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

C30H19Br2Cl2F3N4O3 — CID 129216972

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

[6-bromo-2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 129216972) has the molecular formula C30H19Br2Cl2F3N4O3 and a molecular weight of 771.22 g/mol. Its IUPAC name is [6-bromo-2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

• Compound Name: [6-bromo-2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
• PubChem CID: 129216972
• Molecular Formula: C30H19Br2Cl2F3N4O3
• Molecular Weight: 771.22 g/mol
• Exact Mass: 767.92
• IUPAC Name: [6-bromo-2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
• SMILES: O=C(OCc1c(-c2ccc(Br)cc2)nc2ccc(Br)cn12)C(F)(F)F.OCc1c(-c2ccc(Cl)cc2)nc2cc(Cl)ccn12
• InChI: InChI=1S/C16H9Br2F3N2O2.C14H10Cl2N2O/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;15-10-3-1-9(2-4-10)14-12(8-19)18-6-5-11(16)7-13(18)17-14/h1-7H,8H2;1-7,19H,8H2
• InChIKey: DULNJPRVFVARRG-UHFFFAOYSA-N
• XLogP: 8.93
• TPSA: 81.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.22
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [6-bromo-2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol (CID 129216972) is [6-bromo-2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol.

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

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

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

The InChIKey is DULNJPRVFVARRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br2F3N2O2.C14H10Cl2N2O/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;15-10-3-1-9(2-4-10)14-12(8-19)18-6-5-11(16)7-13(18)17-14/h1-7H,8H2;1-7,19H,8H2.

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

[6-bromo-2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 771.22 g/mol, XLogP of 8.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-bromo-2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate;[7-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 129216972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).