3-chloro-1-(3-fluoropropyl)pyrazin-2-one

C7H8ClFN2O — CID 114561546

IUPAC3-chloro-1-(3-fluoropropyl)pyrazin-2-one
SMILESO=c1c(Cl)nccn1CCCF
InChIInChI=1S/C7H8ClFN2O/c8-6-7(12)11(4-1-2-9)5-3-10-6/h3,5H,1-2,4H2
InChIKeyPIRDNLNGPGTACX-UHFFFAOYSA-N
MW190.61 g/mol
LogP1.26
Rot. Bonds3

About 3-chloro-1-(3-fluoropropyl)pyrazin-2-one

3-chloro-1-(3-fluoropropyl)pyrazin-2-one (PubChem CID 114561546) has the molecular formula C7H8ClFN2O and a molecular weight of 190.61 g/mol. Its IUPAC name is 3-chloro-1-(3-fluoropropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-chloro-1-(3-fluoropropyl)pyrazin-2-one
PubChem CID114561546
Molecular FormulaC7H8ClFN2O
Molecular Weight190.61 g/mol
Exact Mass190.03
IUPAC Name3-chloro-1-(3-fluoropropyl)pyrazin-2-one
SMILESO=c1c(Cl)nccn1CCCF
InChIInChI=1S/C7H8ClFN2O/c8-6-7(12)11(4-1-2-9)5-3-10-6/h3,5H,1-2,4H2
InChIKeyPIRDNLNGPGTACX-UHFFFAOYSA-N
XLogP1.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.61
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-fluoropropyl)pyrazin-2-one?
The IUPAC name of 3-chloro-1-(3-fluoropropyl)pyrazin-2-one (CID 114561546) is 3-chloro-1-(3-fluoropropyl)pyrazin-2-one.
What is the SMILES notation for 3-chloro-1-(3-fluoropropyl)pyrazin-2-one?
The canonical SMILES for 3-chloro-1-(3-fluoropropyl)pyrazin-2-one is O=c1c(Cl)nccn1CCCF.
What is the InChIKey of 3-chloro-1-(3-fluoropropyl)pyrazin-2-one?
The InChIKey is PIRDNLNGPGTACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O/c8-6-7(12)11(4-1-2-9)5-3-10-6/h3,5H,1-2,4H2.
What are the key properties of 3-chloro-1-(3-fluoropropyl)pyrazin-2-one?
3-chloro-1-(3-fluoropropyl)pyrazin-2-one has a molecular weight of 190.61 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-fluoropropyl)pyrazin-2-one is sourced from PubChem (CID 114561546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).