8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid

C20H11BrCl2N2O2 — CID 69411110

IUPAC8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(Br)c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)n2c1
InChIInChI=1S/C20H11BrCl2N2O2/c21-15-9-12(20(26)27)10-25-18(14-3-1-2-4-16(14)23)17(24-19(15)25)11-5-7-13(22)8-6-11/h1-10H,(H,26,27)
InChIKeyJKYKMWCSECMPEQ-UHFFFAOYSA-N
MW462.13 g/mol
LogP6.44
Rot. Bonds3

About 8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid

8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 69411110) has the molecular formula C20H11BrCl2N2O2 and a molecular weight of 462.13 g/mol. Its IUPAC name is 8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID69411110
Molecular FormulaC20H11BrCl2N2O2
Molecular Weight462.13 g/mol
Exact Mass459.94
IUPAC Name8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(Br)c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)n2c1
InChIInChI=1S/C20H11BrCl2N2O2/c21-15-9-12(20(26)27)10-25-18(14-3-1-2-4-16(14)23)17(24-19(15)25)11-5-7-13(22)8-6-11/h1-10H,(H,26,27)
InChIKeyJKYKMWCSECMPEQ-UHFFFAOYSA-N
XLogP6.44
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.13
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 69411110) is 8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid is O=C(O)c1cc(Br)c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)n2c1.
What is the InChIKey of 8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is JKYKMWCSECMPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrCl2N2O2/c21-15-9-12(20(26)27)10-25-18(14-3-1-2-4-16(14)23)17(24-19(15)25)11-5-7-13(22)8-6-11/h1-10H,(H,26,27).
What are the key properties of 8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 462.13 g/mol, XLogP of 6.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 69411110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).