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

C20H11BrCl2N2O2 — CID 69410472

IUPAC3-(4-bromophenyl)-6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cc(Cl)cn2c(-c3ccc(Br)cc3)c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C20H11BrCl2N2O2/c21-13-5-1-12(2-6-13)18-17(11-3-7-14(22)8-4-11)24-19-16(20(26)27)9-15(23)10-25(18)19/h1-10H,(H,26,27)
InChIKeyQRWJOQWZDUWPJV-UHFFFAOYSA-N
MW462.13 g/mol
LogP6.44
Rot. Bonds3

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

3-(4-bromophenyl)-6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 69410472) has the molecular formula C20H11BrCl2N2O2 and a molecular weight of 462.13 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID69410472
Molecular FormulaC20H11BrCl2N2O2
Molecular Weight462.13 g/mol
Exact Mass459.94
IUPAC Name3-(4-bromophenyl)-6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cc(Cl)cn2c(-c3ccc(Br)cc3)c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C20H11BrCl2N2O2/c21-13-5-1-12(2-6-13)18-17(11-3-7-14(22)8-4-11)24-19-16(20(26)27)9-15(23)10-25(18)19/h1-10H,(H,26,27)
InChIKeyQRWJOQWZDUWPJV-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 3-(4-bromophenyl)-6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-(4-bromophenyl)-6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid (CID 69410472) is 3-(4-bromophenyl)-6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-(4-bromophenyl)-6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-(4-bromophenyl)-6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid is O=C(O)c1cc(Cl)cn2c(-c3ccc(Br)cc3)c(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 3-(4-bromophenyl)-6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is QRWJOQWZDUWPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrCl2N2O2/c21-13-5-1-12(2-6-13)18-17(11-3-7-14(22)8-4-11)24-19-16(20(26)27)9-15(23)10-25(18)19/h1-10H,(H,26,27).
What are the key properties of 3-(4-bromophenyl)-6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
3-(4-bromophenyl)-6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-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 3-(4-bromophenyl)-6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 69410472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).