3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one

C11H7Cl2FN2O — CID 114561600

IUPAC3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one
SMILESO=c1c(Cl)nccn1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H7Cl2FN2O/c12-8-2-1-3-9(14)7(8)6-16-5-4-15-10(13)11(16)17/h1-5H,6H2
InChIKeyMNWABJHQFRVSRM-UHFFFAOYSA-N
MW273.09 g/mol
LogP2.74
Rot. Bonds2

About 3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one

3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one (PubChem CID 114561600) has the molecular formula C11H7Cl2FN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one
PubChem CID114561600
Molecular FormulaC11H7Cl2FN2O
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one
SMILESO=c1c(Cl)nccn1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H7Cl2FN2O/c12-8-2-1-3-9(14)7(8)6-16-5-4-15-10(13)11(16)17/h1-5H,6H2
InChIKeyMNWABJHQFRVSRM-UHFFFAOYSA-N
XLogP2.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one?
The IUPAC name of 3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one (CID 114561600) is 3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one.
What is the SMILES notation for 3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one?
The canonical SMILES for 3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one is O=c1c(Cl)nccn1Cc1c(F)cccc1Cl.
What is the InChIKey of 3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one?
The InChIKey is MNWABJHQFRVSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O/c12-8-2-1-3-9(14)7(8)6-16-5-4-15-10(13)11(16)17/h1-5H,6H2.
What are the key properties of 3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one?
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one has a molecular weight of 273.09 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one is sourced from PubChem (CID 114561600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).