2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate

C12H10BrF3N2O2 — CID 151359954

IUPAC2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate
SMILESCC(=O)OCCc1cn2cc(Br)cc(C(F)(F)F)c2n1
InChIInChI=1S/C12H10BrF3N2O2/c1-7(19)20-3-2-9-6-18-5-8(13)4-10(11(18)17-9)12(14,15)16/h4-6H,2-3H2,1H3
InChIKeyOOGOLLIKCFVHIP-UHFFFAOYSA-N
MW351.12 g/mol
LogP3.22
Rot. Bonds3

About 2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate

2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate (PubChem CID 151359954) has the molecular formula C12H10BrF3N2O2 and a molecular weight of 351.12 g/mol. Its IUPAC name is 2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate
PubChem CID151359954
Molecular FormulaC12H10BrF3N2O2
Molecular Weight351.12 g/mol
Exact Mass349.99
IUPAC Name2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate
SMILESCC(=O)OCCc1cn2cc(Br)cc(C(F)(F)F)c2n1
InChIInChI=1S/C12H10BrF3N2O2/c1-7(19)20-3-2-9-6-18-5-8(13)4-10(11(18)17-9)12(14,15)16/h4-6H,2-3H2,1H3
InChIKeyOOGOLLIKCFVHIP-UHFFFAOYSA-N
XLogP3.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.12
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate?
The IUPAC name of 2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate (CID 151359954) is 2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate.
What is the SMILES notation for 2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate?
The canonical SMILES for 2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate is CC(=O)OCCc1cn2cc(Br)cc(C(F)(F)F)c2n1.
What is the InChIKey of 2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate?
The InChIKey is OOGOLLIKCFVHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O2/c1-7(19)20-3-2-9-6-18-5-8(13)4-10(11(18)17-9)12(14,15)16/h4-6H,2-3H2,1H3.
What are the key properties of 2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate?
2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate has a molecular weight of 351.12 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl acetate is sourced from PubChem (CID 151359954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).