3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C15H9BrClF3N2O — CID 3720934

IUPAC3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Br)cc1
InChIInChI=1S/C15H9BrClF3N2O/c1-23-10-4-2-8(3-5-10)12-13(16)22-7-9(15(18,19)20)6-11(17)14(22)21-12/h2-7H,1H3
InChIKeyWKNBHWGFKLTTQB-UHFFFAOYSA-N
MW405.60 g/mol
LogP5.44
Rot. Bonds2

About 3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 3720934) has the molecular formula C15H9BrClF3N2O and a molecular weight of 405.60 g/mol. Its IUPAC name is 3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID3720934
Molecular FormulaC15H9BrClF3N2O
Molecular Weight405.60 g/mol
Exact Mass403.95
IUPAC Name3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Br)cc1
InChIInChI=1S/C15H9BrClF3N2O/c1-23-10-4-2-8(3-5-10)12-13(16)22-7-9(15(18,19)20)6-11(17)14(22)21-12/h2-7H,1H3
InChIKeyWKNBHWGFKLTTQB-UHFFFAOYSA-N
XLogP5.44
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.60
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 3720934) is 3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine is COc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Br)cc1.
What is the InChIKey of 3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is WKNBHWGFKLTTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClF3N2O/c1-23-10-4-2-8(3-5-10)12-13(16)22-7-9(15(18,19)20)6-11(17)14(22)21-12/h2-7H,1H3.
What are the key properties of 3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 405.60 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 3720934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).