2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine

C10H8BrFN4 — CID 80646878

IUPAC2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine
SMILESNc1cncc(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C10H8BrFN4/c11-7-3-6(12)1-2-8(7)15-10-5-14-4-9(13)16-10/h1-5H,(H3,13,15,16)
InChIKeyYCLHCPHUFPEADH-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.70
Rot. Bonds2

About 2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine

2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine (PubChem CID 80646878) has the molecular formula C10H8BrFN4 and a molecular weight of 283.10 g/mol. Its IUPAC name is 2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine
PubChem CID80646878
Molecular FormulaC10H8BrFN4
Molecular Weight283.10 g/mol
Exact Mass281.99
IUPAC Name2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine
SMILESNc1cncc(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C10H8BrFN4/c11-7-3-6(12)1-2-8(7)15-10-5-14-4-9(13)16-10/h1-5H,(H3,13,15,16)
InChIKeyYCLHCPHUFPEADH-UHFFFAOYSA-N
XLogP2.70
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine (CID 80646878) is 2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine is Nc1cncc(Nc2ccc(F)cc2Br)n1.
What is the InChIKey of 2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine?
The InChIKey is YCLHCPHUFPEADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4/c11-7-3-6(12)1-2-8(7)15-10-5-14-4-9(13)16-10/h1-5H,(H3,13,15,16).
What are the key properties of 2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine?
2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine has a molecular weight of 283.10 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-4-fluorophenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80646878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).