2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine

C15H16BrFN4O — CID 163354155

IUPAC2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine
SMILESFc1cc(Br)cnc1N1CCCC(COc2cnccn2)C1
InChIInChI=1S/C15H16BrFN4O/c16-12-6-13(17)15(20-7-12)21-5-1-2-11(9-21)10-22-14-8-18-3-4-19-14/h3-4,6-8,11H,1-2,5,9-10H2
InChIKeyKRNNYWWMFZUXBQ-UHFFFAOYSA-N
MW367.22 g/mol
LogP3.07
Rot. Bonds4

About 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine

2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine (PubChem CID 163354155) has the molecular formula C15H16BrFN4O and a molecular weight of 367.22 g/mol. Its IUPAC name is 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine
PubChem CID163354155
Molecular FormulaC15H16BrFN4O
Molecular Weight367.22 g/mol
Exact Mass366.05
IUPAC Name2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine
SMILESFc1cc(Br)cnc1N1CCCC(COc2cnccn2)C1
InChIInChI=1S/C15H16BrFN4O/c16-12-6-13(17)15(20-7-12)21-5-1-2-11(9-21)10-22-14-8-18-3-4-19-14/h3-4,6-8,11H,1-2,5,9-10H2
InChIKeyKRNNYWWMFZUXBQ-UHFFFAOYSA-N
XLogP3.07
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine?
The IUPAC name of 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine (CID 163354155) is 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine.
What is the SMILES notation for 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine?
The canonical SMILES for 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine is Fc1cc(Br)cnc1N1CCCC(COc2cnccn2)C1.
What is the InChIKey of 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine?
The InChIKey is KRNNYWWMFZUXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN4O/c16-12-6-13(17)15(20-7-12)21-5-1-2-11(9-21)10-22-14-8-18-3-4-19-14/h3-4,6-8,11H,1-2,5,9-10H2.
What are the key properties of 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine?
2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine has a molecular weight of 367.22 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine is sourced from PubChem (CID 163354155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).