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

C20H11Br2ClN2O2 — CID 69443729

IUPAC6-bromo-2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cc(Br)cn2c(-c3ccc(Cl)cc3)c(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C20H11Br2ClN2O2/c21-13-5-1-11(2-6-13)17-18(12-3-7-15(23)8-4-12)25-10-14(22)9-16(20(26)27)19(25)24-17/h1-10H,(H,26,27)
InChIKeyOHLRSSDSWVSYAP-UHFFFAOYSA-N
MW506.58 g/mol
LogP6.54
Rot. Bonds3

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

6-bromo-2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 69443729) has the molecular formula C20H11Br2ClN2O2 and a molecular weight of 506.58 g/mol. Its IUPAC name is 6-bromo-2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID69443729
Molecular FormulaC20H11Br2ClN2O2
Molecular Weight506.58 g/mol
Exact Mass503.89
IUPAC Name6-bromo-2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cc(Br)cn2c(-c3ccc(Cl)cc3)c(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C20H11Br2ClN2O2/c21-13-5-1-11(2-6-13)17-18(12-3-7-15(23)8-4-12)25-10-14(22)9-16(20(26)27)19(25)24-17/h1-10H,(H,26,27)
InChIKeyOHLRSSDSWVSYAP-UHFFFAOYSA-N
XLogP6.54
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.58
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 6-bromo-2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid (CID 69443729) is 6-bromo-2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 6-bromo-2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid is O=C(O)c1cc(Br)cn2c(-c3ccc(Cl)cc3)c(-c3ccc(Br)cc3)nc12.
What is the InChIKey of 6-bromo-2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is OHLRSSDSWVSYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Br2ClN2O2/c21-13-5-1-11(2-6-13)17-18(12-3-7-15(23)8-4-12)25-10-14(22)9-16(20(26)27)19(25)24-17/h1-10H,(H,26,27).
What are the key properties of 6-bromo-2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
6-bromo-2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 506.58 g/mol, XLogP of 6.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 69443729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).