5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine

C10H5BrF3N3 — CID 87425040

IUPAC5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine
SMILESNc1ncc(Br)nc1-c1ccc(F)c(F)c1F
InChIInChI=1S/C10H5BrF3N3/c11-6-3-16-10(15)9(17-6)4-1-2-5(12)8(14)7(4)13/h1-3H,(H2,15,16)
InChIKeyHAKYATKNEKRRHJ-UHFFFAOYSA-N
MW304.07 g/mol
LogP2.91
Rot. Bonds1

About 5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine

5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine (PubChem CID 87425040) has the molecular formula C10H5BrF3N3 and a molecular weight of 304.07 g/mol. Its IUPAC name is 5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine
PubChem CID87425040
Molecular FormulaC10H5BrF3N3
Molecular Weight304.07 g/mol
Exact Mass302.96
IUPAC Name5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine
SMILESNc1ncc(Br)nc1-c1ccc(F)c(F)c1F
InChIInChI=1S/C10H5BrF3N3/c11-6-3-16-10(15)9(17-6)4-1-2-5(12)8(14)7(4)13/h1-3H,(H2,15,16)
InChIKeyHAKYATKNEKRRHJ-UHFFFAOYSA-N
XLogP2.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.07
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine?
The IUPAC name of 5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine (CID 87425040) is 5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine?
The canonical SMILES for 5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine is Nc1ncc(Br)nc1-c1ccc(F)c(F)c1F.
What is the InChIKey of 5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine?
The InChIKey is HAKYATKNEKRRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3N3/c11-6-3-16-10(15)9(17-6)4-1-2-5(12)8(14)7(4)13/h1-3H,(H2,15,16).
What are the key properties of 5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine?
5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine has a molecular weight of 304.07 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine is sourced from PubChem (CID 87425040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).