2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine

C8H8BrF2N3 — CID 167713472

IUPAC2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine
SMILESFC1(F)CCN(c2cncc(Br)n2)C1
InChIInChI=1S/C8H8BrF2N3/c9-6-3-12-4-7(13-6)14-2-1-8(10,11)5-14/h3-4H,1-2,5H2
InChIKeyNKKZXHFTNCWMAN-UHFFFAOYSA-N
MW264.07 g/mol
LogP2.08
Rot. Bonds1

About 2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine

2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine (PubChem CID 167713472) has the molecular formula C8H8BrF2N3 and a molecular weight of 264.07 g/mol. Its IUPAC name is 2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine
PubChem CID167713472
Molecular FormulaC8H8BrF2N3
Molecular Weight264.07 g/mol
Exact Mass262.99
IUPAC Name2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine
SMILESFC1(F)CCN(c2cncc(Br)n2)C1
InChIInChI=1S/C8H8BrF2N3/c9-6-3-12-4-7(13-6)14-2-1-8(10,11)5-14/h3-4H,1-2,5H2
InChIKeyNKKZXHFTNCWMAN-UHFFFAOYSA-N
XLogP2.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine?
The IUPAC name of 2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine (CID 167713472) is 2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine.
What is the SMILES notation for 2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine?
The canonical SMILES for 2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine is FC1(F)CCN(c2cncc(Br)n2)C1.
What is the InChIKey of 2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine?
The InChIKey is NKKZXHFTNCWMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N3/c9-6-3-12-4-7(13-6)14-2-1-8(10,11)5-14/h3-4H,1-2,5H2.
What are the key properties of 2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine?
2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine has a molecular weight of 264.07 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine is sourced from PubChem (CID 167713472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).