2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine

C8H9BrFN3 — CID 166475134

IUPAC2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine
SMILESF[C@H]1CCN(c2cnc(Br)cn2)C1
InChIInChI=1S/C8H9BrFN3/c9-7-3-12-8(4-11-7)13-2-1-6(10)5-13/h3-4,6H,1-2,5H2/t6-/m0/s1
InChIKeyXTHSZHDUYIVHIW-LURJTMIESA-N
MW246.08 g/mol
LogP1.79
Rot. Bonds1

About 2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine

2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine (PubChem CID 166475134) has the molecular formula C8H9BrFN3 and a molecular weight of 246.08 g/mol. Its IUPAC name is 2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine
PubChem CID166475134
Molecular FormulaC8H9BrFN3
Molecular Weight246.08 g/mol
Exact Mass245.00
IUPAC Name2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine
SMILESF[C@H]1CCN(c2cnc(Br)cn2)C1
InChIInChI=1S/C8H9BrFN3/c9-7-3-12-8(4-11-7)13-2-1-6(10)5-13/h3-4,6H,1-2,5H2/t6-/m0/s1
InChIKeyXTHSZHDUYIVHIW-LURJTMIESA-N
XLogP1.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine?
The IUPAC name of 2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine (CID 166475134) is 2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine.
What is the SMILES notation for 2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine?
The canonical SMILES for 2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine is F[C@H]1CCN(c2cnc(Br)cn2)C1.
What is the InChIKey of 2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine?
The InChIKey is XTHSZHDUYIVHIW-LURJTMIESA-N. The full InChI is InChI=1S/C8H9BrFN3/c9-7-3-12-8(4-11-7)13-2-1-6(10)5-13/h3-4,6H,1-2,5H2/t6-/m0/s1.
What are the key properties of 2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine?
2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine has a molecular weight of 246.08 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine is sourced from PubChem (CID 166475134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).