2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine

C10H11BrF3N3 — CID 168753018

IUPAC2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine
SMILESFC(F)(F)C1CCN(c2cnc(Br)cn2)CC1
InChIInChI=1S/C10H11BrF3N3/c11-8-5-16-9(6-15-8)17-3-1-7(2-4-17)10(12,13)14/h5-7H,1-4H2
InChIKeyLHHJEOIZROZYQY-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.02
Rot. Bonds1

About 2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine

2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine (PubChem CID 168753018) has the molecular formula C10H11BrF3N3 and a molecular weight of 310.12 g/mol. Its IUPAC name is 2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine
PubChem CID168753018
Molecular FormulaC10H11BrF3N3
Molecular Weight310.12 g/mol
Exact Mass309.01
IUPAC Name2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine
SMILESFC(F)(F)C1CCN(c2cnc(Br)cn2)CC1
InChIInChI=1S/C10H11BrF3N3/c11-8-5-16-9(6-15-8)17-3-1-7(2-4-17)10(12,13)14/h5-7H,1-4H2
InChIKeyLHHJEOIZROZYQY-UHFFFAOYSA-N
XLogP3.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine (CID 168753018) is 2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine is FC(F)(F)C1CCN(c2cnc(Br)cn2)CC1.
What is the InChIKey of 2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine?
The InChIKey is LHHJEOIZROZYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N3/c11-8-5-16-9(6-15-8)17-3-1-7(2-4-17)10(12,13)14/h5-7H,1-4H2.
What are the key properties of 2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine?
2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine has a molecular weight of 310.12 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 168753018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).