[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate

C16H9BrClF3N2O2 — CID 67123063

IUPAC[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate
SMILESO=C(OCc1c(-c2ccc(Br)cc2)nc2cc(Cl)ccn12)C(F)(F)F
InChIInChI=1S/C16H9BrClF3N2O2/c17-10-3-1-9(2-4-10)14-12(8-25-15(24)16(19,20)21)23-6-5-11(18)7-13(23)22-14/h1-7H,8H2
InChIKeyBPXIIXMICRGHRY-UHFFFAOYSA-N
MW433.61 g/mol
LogP5.02
Rot. Bonds3

About [2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate

[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate (PubChem CID 67123063) has the molecular formula C16H9BrClF3N2O2 and a molecular weight of 433.61 g/mol. Its IUPAC name is [2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate
PubChem CID67123063
Molecular FormulaC16H9BrClF3N2O2
Molecular Weight433.61 g/mol
Exact Mass431.95
IUPAC Name[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate
SMILESO=C(OCc1c(-c2ccc(Br)cc2)nc2cc(Cl)ccn12)C(F)(F)F
InChIInChI=1S/C16H9BrClF3N2O2/c17-10-3-1-9(2-4-10)14-12(8-25-15(24)16(19,20)21)23-6-5-11(18)7-13(23)22-14/h1-7H,8H2
InChIKeyBPXIIXMICRGHRY-UHFFFAOYSA-N
XLogP5.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.61
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate?
The IUPAC name of [2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate (CID 67123063) is [2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate?
The canonical SMILES for [2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate is O=C(OCc1c(-c2ccc(Br)cc2)nc2cc(Cl)ccn12)C(F)(F)F.
What is the InChIKey of [2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate?
The InChIKey is BPXIIXMICRGHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClF3N2O2/c17-10-3-1-9(2-4-10)14-12(8-25-15(24)16(19,20)21)23-6-5-11(18)7-13(23)22-14/h1-7H,8H2.
What are the key properties of [2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate?
[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate has a molecular weight of 433.61 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 67123063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).