3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine

C13H7F3IN3O — CID 164888690

IUPAC3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
SMILESFC(F)(F)Oc1cccc(-c2cn3c(I)cnc3cn2)c1
InChIInChI=1S/C13H7F3IN3O/c14-13(15,16)21-9-3-1-2-8(4-9)10-7-20-11(17)5-19-12(20)6-18-10/h1-7H
InChIKeyRLGGFNUFOKGYNA-UHFFFAOYSA-N
MW405.12 g/mol
LogP3.90
Rot. Bonds2

About 3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine

3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 164888690) has the molecular formula C13H7F3IN3O and a molecular weight of 405.12 g/mol. Its IUPAC name is 3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
PubChem CID164888690
Molecular FormulaC13H7F3IN3O
Molecular Weight405.12 g/mol
Exact Mass404.96
IUPAC Name3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
SMILESFC(F)(F)Oc1cccc(-c2cn3c(I)cnc3cn2)c1
InChIInChI=1S/C13H7F3IN3O/c14-13(15,16)21-9-3-1-2-8(4-9)10-7-20-11(17)5-19-12(20)6-18-10/h1-7H
InChIKeyRLGGFNUFOKGYNA-UHFFFAOYSA-N
XLogP3.90
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.12
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine (CID 164888690) is 3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine is FC(F)(F)Oc1cccc(-c2cn3c(I)cnc3cn2)c1.
What is the InChIKey of 3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is RLGGFNUFOKGYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3IN3O/c14-13(15,16)21-9-3-1-2-8(4-9)10-7-20-11(17)5-19-12(20)6-18-10/h1-7H.
What are the key properties of 3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 405.12 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 164888690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).