5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine

C12H8BrF4N3O — CID 21111496

IUPAC5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine
SMILESNc1ncc(Br)nc1OCc1cccc(F)c1C(F)(F)F
InChIInChI=1S/C12H8BrF4N3O/c13-8-4-19-10(18)11(20-8)21-5-6-2-1-3-7(14)9(6)12(15,16)17/h1-4H,5H2,(H2,18,19)
InChIKeyZCQRGDYRHNHCMU-UHFFFAOYSA-N
MW366.11 g/mol
LogP3.56
Rot. Bonds3

About 5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine

5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine (PubChem CID 21111496) has the molecular formula C12H8BrF4N3O and a molecular weight of 366.11 g/mol. Its IUPAC name is 5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine
PubChem CID21111496
Molecular FormulaC12H8BrF4N3O
Molecular Weight366.11 g/mol
Exact Mass364.98
IUPAC Name5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine
SMILESNc1ncc(Br)nc1OCc1cccc(F)c1C(F)(F)F
InChIInChI=1S/C12H8BrF4N3O/c13-8-4-19-10(18)11(20-8)21-5-6-2-1-3-7(14)9(6)12(15,16)17/h1-4H,5H2,(H2,18,19)
InChIKeyZCQRGDYRHNHCMU-UHFFFAOYSA-N
XLogP3.56
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.11
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine?
The IUPAC name of 5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine (CID 21111496) is 5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine?
The canonical SMILES for 5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine is Nc1ncc(Br)nc1OCc1cccc(F)c1C(F)(F)F.
What is the InChIKey of 5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine?
The InChIKey is ZCQRGDYRHNHCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF4N3O/c13-8-4-19-10(18)11(20-8)21-5-6-2-1-3-7(14)9(6)12(15,16)17/h1-4H,5H2,(H2,18,19).
What are the key properties of 5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine?
5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine has a molecular weight of 366.11 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-amine is sourced from PubChem (CID 21111496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).