3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine

C10H6BrCl3N4 — CID 11383047

IUPAC3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine
SMILESNc1nc(N)c(-c2cc(Cl)cc(Cl)c2Cl)nc1Br
InChIInChI=1S/C10H6BrCl3N4/c11-8-10(16)18-9(15)7(17-8)4-1-3(12)2-5(13)6(4)14/h1-2H,(H4,15,16,18)
InChIKeyFOZHLJAOQPMVIN-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.03
Rot. Bonds1

About 3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine

3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine (PubChem CID 11383047) has the molecular formula C10H6BrCl3N4 and a molecular weight of 368.45 g/mol. Its IUPAC name is 3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine
PubChem CID11383047
Molecular FormulaC10H6BrCl3N4
Molecular Weight368.45 g/mol
Exact Mass365.88
IUPAC Name3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine
SMILESNc1nc(N)c(-c2cc(Cl)cc(Cl)c2Cl)nc1Br
InChIInChI=1S/C10H6BrCl3N4/c11-8-10(16)18-9(15)7(17-8)4-1-3(12)2-5(13)6(4)14/h1-2H,(H4,15,16,18)
InChIKeyFOZHLJAOQPMVIN-UHFFFAOYSA-N
XLogP4.03
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine?
The IUPAC name of 3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine (CID 11383047) is 3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine?
The canonical SMILES for 3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine is Nc1nc(N)c(-c2cc(Cl)cc(Cl)c2Cl)nc1Br.
What is the InChIKey of 3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine?
The InChIKey is FOZHLJAOQPMVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl3N4/c11-8-10(16)18-9(15)7(17-8)4-1-3(12)2-5(13)6(4)14/h1-2H,(H4,15,16,18).
What are the key properties of 3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine?
3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine has a molecular weight of 368.45 g/mol, XLogP of 4.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 11383047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).