2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine

C8H9ClFN3 — CID 118279233

IUPAC2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine
SMILESFC1CN(Cc2cncc(Cl)n2)C1
InChIInChI=1S/C8H9ClFN3/c9-8-2-11-1-7(12-8)5-13-3-6(10)4-13/h1-2,6H,3-5H2
InChIKeyAHZDTFMJCKICIL-UHFFFAOYSA-N
MW201.63 g/mol
LogP1.28
Rot. Bonds2

About 2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine

2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine (PubChem CID 118279233) has the molecular formula C8H9ClFN3 and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine
PubChem CID118279233
Molecular FormulaC8H9ClFN3
Molecular Weight201.63 g/mol
Exact Mass201.05
IUPAC Name2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine
SMILESFC1CN(Cc2cncc(Cl)n2)C1
InChIInChI=1S/C8H9ClFN3/c9-8-2-11-1-7(12-8)5-13-3-6(10)4-13/h1-2,6H,3-5H2
InChIKeyAHZDTFMJCKICIL-UHFFFAOYSA-N
XLogP1.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine?
The IUPAC name of 2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine (CID 118279233) is 2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine.
What is the SMILES notation for 2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine?
The canonical SMILES for 2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine is FC1CN(Cc2cncc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine?
The InChIKey is AHZDTFMJCKICIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3/c9-8-2-11-1-7(12-8)5-13-3-6(10)4-13/h1-2,6H,3-5H2.
What are the key properties of 2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine?
2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine has a molecular weight of 201.63 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine is sourced from PubChem (CID 118279233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).