2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine

C8H8ClF2N3 — CID 118279295

IUPAC2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine
SMILESFC1(F)CN(Cc2cnc(Cl)cn2)C1
InChIInChI=1S/C8H8ClF2N3/c9-7-2-12-6(1-13-7)3-14-4-8(10,11)5-14/h1-2H,3-5H2
InChIKeyIZQRGNSXEBETQI-UHFFFAOYSA-N
MW219.62 g/mol
LogP1.58
Rot. Bonds2

About 2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine

2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine (PubChem CID 118279295) has the molecular formula C8H8ClF2N3 and a molecular weight of 219.62 g/mol. Its IUPAC name is 2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine
PubChem CID118279295
Molecular FormulaC8H8ClF2N3
Molecular Weight219.62 g/mol
Exact Mass219.04
IUPAC Name2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine
SMILESFC1(F)CN(Cc2cnc(Cl)cn2)C1
InChIInChI=1S/C8H8ClF2N3/c9-7-2-12-6(1-13-7)3-14-4-8(10,11)5-14/h1-2H,3-5H2
InChIKeyIZQRGNSXEBETQI-UHFFFAOYSA-N
XLogP1.58
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine?
The IUPAC name of 2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine (CID 118279295) is 2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine is FC1(F)CN(Cc2cnc(Cl)cn2)C1.
What is the InChIKey of 2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine?
The InChIKey is IZQRGNSXEBETQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N3/c9-7-2-12-6(1-13-7)3-14-4-8(10,11)5-14/h1-2H,3-5H2.
What are the key properties of 2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine?
2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine has a molecular weight of 219.62 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine is sourced from PubChem (CID 118279295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).