2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine

C6H3BrFN3 — CID 130925069

IUPAC2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine
SMILESFc1c[nH]c2ncc(Br)nc12
InChIInChI=1S/C6H3BrFN3/c7-4-2-10-6-5(11-4)3(8)1-9-6/h1-2H,(H,9,10)
InChIKeyOXMHRPRINWEXDQ-UHFFFAOYSA-N
MW216.01 g/mol
LogP1.86
Rot. Bonds

About 2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine

2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 130925069) has the molecular formula C6H3BrFN3 and a molecular weight of 216.01 g/mol. Its IUPAC name is 2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine
PubChem CID130925069
Molecular FormulaC6H3BrFN3
Molecular Weight216.01 g/mol
Exact Mass214.95
IUPAC Name2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine
SMILESFc1c[nH]c2ncc(Br)nc12
InChIInChI=1S/C6H3BrFN3/c7-4-2-10-6-5(11-4)3(8)1-9-6/h1-2H,(H,9,10)
InChIKeyOXMHRPRINWEXDQ-UHFFFAOYSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.01
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine (CID 130925069) is 2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine is Fc1c[nH]c2ncc(Br)nc12.
What is the InChIKey of 2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is OXMHRPRINWEXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFN3/c7-4-2-10-6-5(11-4)3(8)1-9-6/h1-2H,(H,9,10).
What are the key properties of 2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine?
2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 216.01 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-fluoro-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 130925069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).