(6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone

C8H6ClF2N3O — CID 146001430

IUPAC(6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESO=C(c1cncc(Cl)n1)N1CC(F)(F)C1
InChIInChI=1S/C8H6ClF2N3O/c9-6-2-12-1-5(13-6)7(15)14-3-8(10,11)4-14/h1-2H,3-4H2
InChIKeyMCVDOVXQOUKIKV-UHFFFAOYSA-N
MW233.60 g/mol
LogP1.22
Rot. Bonds1

About (6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone

(6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone (PubChem CID 146001430) has the molecular formula C8H6ClF2N3O and a molecular weight of 233.60 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone
PubChem CID146001430
Molecular FormulaC8H6ClF2N3O
Molecular Weight233.60 g/mol
Exact Mass233.02
IUPAC Name(6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESO=C(c1cncc(Cl)n1)N1CC(F)(F)C1
InChIInChI=1S/C8H6ClF2N3O/c9-6-2-12-1-5(13-6)7(15)14-3-8(10,11)4-14/h1-2H,3-4H2
InChIKeyMCVDOVXQOUKIKV-UHFFFAOYSA-N
XLogP1.22
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.60
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone?
The IUPAC name of (6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone (CID 146001430) is (6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone.
What is the SMILES notation for (6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone?
The canonical SMILES for (6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone is O=C(c1cncc(Cl)n1)N1CC(F)(F)C1.
What is the InChIKey of (6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone?
The InChIKey is MCVDOVXQOUKIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2N3O/c9-6-2-12-1-5(13-6)7(15)14-3-8(10,11)4-14/h1-2H,3-4H2.
What are the key properties of (6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone?
(6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone has a molecular weight of 233.60 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone is sourced from PubChem (CID 146001430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).