6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine

C16H14BrClN2O3 — CID 135335358

IUPAC6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3cc(Br)c(OC)cc3n2)cc1Cl
InChIInChI=1S/C16H14BrClN2O3/c1-21-13-5-15(23-3)11(18)4-9(13)12-8-20-7-10(17)14(22-2)6-16(20)19-12/h4-8H,1-3H3
InChIKeyJNLHUFHYGJDBEU-UHFFFAOYSA-N
MW397.66 g/mol
LogP4.44
Rot. Bonds4

About 6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine

6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine (PubChem CID 135335358) has the molecular formula C16H14BrClN2O3 and a molecular weight of 397.66 g/mol. Its IUPAC name is 6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine
PubChem CID135335358
Molecular FormulaC16H14BrClN2O3
Molecular Weight397.66 g/mol
Exact Mass395.99
IUPAC Name6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3cc(Br)c(OC)cc3n2)cc1Cl
InChIInChI=1S/C16H14BrClN2O3/c1-21-13-5-15(23-3)11(18)4-9(13)12-8-20-7-10(17)14(22-2)6-16(20)19-12/h4-8H,1-3H3
InChIKeyJNLHUFHYGJDBEU-UHFFFAOYSA-N
XLogP4.44
TPSA44.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine (CID 135335358) is 6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3cc(Br)c(OC)cc3n2)cc1Cl.
What is the InChIKey of 6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine?
The InChIKey is JNLHUFHYGJDBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O3/c1-21-13-5-15(23-3)11(18)4-9(13)12-8-20-7-10(17)14(22-2)6-16(20)19-12/h4-8H,1-3H3.
What are the key properties of 6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine?
6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine has a molecular weight of 397.66 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine is sourced from PubChem (CID 135335358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).