6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine

C9H7BrF3N3O — CID 82955063

IUPAC6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)CCOc1nc(Br)cn2ccnc12
InChIInChI=1S/C9H7BrF3N3O/c10-6-5-16-3-2-14-7(16)8(15-6)17-4-1-9(11,12)13/h2-3,5H,1,4H2
InChIKeyJSTPEKLFXGXZGP-UHFFFAOYSA-N
MW310.07 g/mol
LogP2.82
Rot. Bonds3

About 6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine

6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine (PubChem CID 82955063) has the molecular formula C9H7BrF3N3O and a molecular weight of 310.07 g/mol. Its IUPAC name is 6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine
PubChem CID82955063
Molecular FormulaC9H7BrF3N3O
Molecular Weight310.07 g/mol
Exact Mass308.97
IUPAC Name6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)CCOc1nc(Br)cn2ccnc12
InChIInChI=1S/C9H7BrF3N3O/c10-6-5-16-3-2-14-7(16)8(15-6)17-4-1-9(11,12)13/h2-3,5H,1,4H2
InChIKeyJSTPEKLFXGXZGP-UHFFFAOYSA-N
XLogP2.82
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.07
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Bromo-8-methoxyimidazo[1,2-a]pyrazine
CID 15025841
6-Bromo-8-ethoxyimidazo[1,2-A]pyrazine
CID 11776487
6-Bromo-8-methoxyimidazo[1,2-a]pyrazine
CID 11790955
3-Bromo-8-ethoxyimidazo[1,2-a]pyrazine
CID 10060274
8-Ethoxy-imidazo[1,2-a]pyrazine
CID 11819361
6-(2,2,2-Trifluoroethoxy)imidazo[1,2-a]pyrazine
CID 135043497
2-Iodo-3-(trifluoromethoxy)imidazo[1,2-a]pyrazine
CID 68374702
2-(Trifluoromethoxy)imidazo[1,2-a]pyrazine
CID 68677191
8-(Trifluoromethoxy)imidazo[1,2-a]pyrazine
CID 68677192
2-Bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine
CID 129216598
2-Bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine
CID 129216637
2-Bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine
CID 129216709

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine (CID 82955063) is 6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine is FC(F)(F)CCOc1nc(Br)cn2ccnc12.
What is the InChIKey of 6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine?
The InChIKey is JSTPEKLFXGXZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3N3O/c10-6-5-16-3-2-14-7(16)8(15-6)17-4-1-9(11,12)13/h2-3,5H,1,4H2.
What are the key properties of 6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine?
6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine has a molecular weight of 310.07 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(3,3,3-trifluoropropoxy)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 82955063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).