3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C9H6BrF3N2O — CID 172632182

IUPAC3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCOc1cc2ncc(Br)n2cc1C(F)(F)F
InChIInChI=1S/C9H6BrF3N2O/c1-16-6-2-8-14-3-7(10)15(8)4-5(6)9(11,12)13/h2-4H,1H3
InChIKeyUGAMQFUDYHQVHI-UHFFFAOYSA-N
MW295.06 g/mol
LogP3.12
Rot. Bonds1

About 3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 172632182) has the molecular formula C9H6BrF3N2O and a molecular weight of 295.06 g/mol. Its IUPAC name is 3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID172632182
Molecular FormulaC9H6BrF3N2O
Molecular Weight295.06 g/mol
Exact Mass293.96
IUPAC Name3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCOc1cc2ncc(Br)n2cc1C(F)(F)F
InChIInChI=1S/C9H6BrF3N2O/c1-16-6-2-8-14-3-7(10)15(8)4-5(6)9(11,12)13/h2-4H,1H3
InChIKeyUGAMQFUDYHQVHI-UHFFFAOYSA-N
XLogP3.12
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.06
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 172632182) is 3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine is COc1cc2ncc(Br)n2cc1C(F)(F)F.
What is the InChIKey of 3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is UGAMQFUDYHQVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3N2O/c1-16-6-2-8-14-3-7(10)15(8)4-5(6)9(11,12)13/h2-4H,1H3.
What are the key properties of 3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 295.06 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 172632182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).