2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine

C9H10BrF2N3 — CID 167713473

IUPAC2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine
SMILESFC1(F)CCN(c2cncc(Br)n2)CC1
InChIInChI=1S/C9H10BrF2N3/c10-7-5-13-6-8(14-7)15-3-1-9(11,12)2-4-15/h5-6H,1-4H2
InChIKeyFHVUGONKLBDYNI-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.47
Rot. Bonds1

About 2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine

2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine (PubChem CID 167713473) has the molecular formula C9H10BrF2N3 and a molecular weight of 278.10 g/mol. Its IUPAC name is 2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine
PubChem CID167713473
Molecular FormulaC9H10BrF2N3
Molecular Weight278.10 g/mol
Exact Mass277.00
IUPAC Name2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine
SMILESFC1(F)CCN(c2cncc(Br)n2)CC1
InChIInChI=1S/C9H10BrF2N3/c10-7-5-13-6-8(14-7)15-3-1-9(11,12)2-4-15/h5-6H,1-4H2
InChIKeyFHVUGONKLBDYNI-UHFFFAOYSA-N
XLogP2.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine?
The IUPAC name of 2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine (CID 167713473) is 2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine.
What is the SMILES notation for 2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine?
The canonical SMILES for 2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine is FC1(F)CCN(c2cncc(Br)n2)CC1.
What is the InChIKey of 2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine?
The InChIKey is FHVUGONKLBDYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N3/c10-7-5-13-6-8(14-7)15-3-1-9(11,12)2-4-15/h5-6H,1-4H2.
What are the key properties of 2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine?
2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine has a molecular weight of 278.10 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine is sourced from PubChem (CID 167713473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).