5-bromo-2-chloro-3-piperidin-1-ylpyrazine

C9H11BrClN3 — CID 135293554

IUPAC5-bromo-2-chloro-3-piperidin-1-ylpyrazine
SMILESClc1ncc(Br)nc1N1CCCCC1
InChIInChI=1S/C9H11BrClN3/c10-7-6-12-8(11)9(13-7)14-4-2-1-3-5-14/h6H,1-5H2
InChIKeyPUZPUSXIVKIWNS-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.88
Rot. Bonds1

About 5-bromo-2-chloro-3-piperidin-1-ylpyrazine

5-bromo-2-chloro-3-piperidin-1-ylpyrazine (PubChem CID 135293554) has the molecular formula C9H11BrClN3 and a molecular weight of 276.56 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-piperidin-1-ylpyrazine.

Molecular Properties

Compound Name5-bromo-2-chloro-3-piperidin-1-ylpyrazine
PubChem CID135293554
Molecular FormulaC9H11BrClN3
Molecular Weight276.56 g/mol
Exact Mass274.98
IUPAC Name5-bromo-2-chloro-3-piperidin-1-ylpyrazine
SMILESClc1ncc(Br)nc1N1CCCCC1
InChIInChI=1S/C9H11BrClN3/c10-7-6-12-8(11)9(13-7)14-4-2-1-3-5-14/h6H,1-5H2
InChIKeyPUZPUSXIVKIWNS-UHFFFAOYSA-N
XLogP2.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-piperidin-1-ylpyrazine?
The IUPAC name of 5-bromo-2-chloro-3-piperidin-1-ylpyrazine (CID 135293554) is 5-bromo-2-chloro-3-piperidin-1-ylpyrazine.
What is the SMILES notation for 5-bromo-2-chloro-3-piperidin-1-ylpyrazine?
The canonical SMILES for 5-bromo-2-chloro-3-piperidin-1-ylpyrazine is Clc1ncc(Br)nc1N1CCCCC1.
What is the InChIKey of 5-bromo-2-chloro-3-piperidin-1-ylpyrazine?
The InChIKey is PUZPUSXIVKIWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3/c10-7-6-12-8(11)9(13-7)14-4-2-1-3-5-14/h6H,1-5H2.
What are the key properties of 5-bromo-2-chloro-3-piperidin-1-ylpyrazine?
5-bromo-2-chloro-3-piperidin-1-ylpyrazine has a molecular weight of 276.56 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-piperidin-1-ylpyrazine is sourced from PubChem (CID 135293554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).