2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid

C20H12BrClN2O2 — CID 69411769

IUPAC2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(-c3ccc(Cl)cc3)c(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C20H12BrClN2O2/c21-14-7-3-12(4-8-14)17-18(13-5-9-15(22)10-6-13)24-11-1-2-16(20(25)26)19(24)23-17/h1-11H,(H,25,26)
InChIKeyOOGAYGTZTZDQNU-UHFFFAOYSA-N
MW427.69 g/mol
LogP5.78
Rot. Bonds3

About 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid

2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 69411769) has the molecular formula C20H12BrClN2O2 and a molecular weight of 427.69 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID69411769
Molecular FormulaC20H12BrClN2O2
Molecular Weight427.69 g/mol
Exact Mass425.98
IUPAC Name2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(-c3ccc(Cl)cc3)c(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C20H12BrClN2O2/c21-14-7-3-12(4-8-14)17-18(13-5-9-15(22)10-6-13)24-11-1-2-16(20(25)26)19(24)23-17/h1-11H,(H,25,26)
InChIKeyOOGAYGTZTZDQNU-UHFFFAOYSA-N
XLogP5.78
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.69
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid (CID 69411769) is 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(-c3ccc(Cl)cc3)c(-c3ccc(Br)cc3)nc12.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is OOGAYGTZTZDQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrClN2O2/c21-14-7-3-12(4-8-14)17-18(13-5-9-15(22)10-6-13)24-11-1-2-16(20(25)26)19(24)23-17/h1-11H,(H,25,26).
What are the key properties of 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 427.69 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 69411769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).