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

C11H8ClFN2O — CID 114561555

IUPAC3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one
SMILESO=c1c(Cl)nccn1Cc1ccccc1F
InChIInChI=1S/C11H8ClFN2O/c12-10-11(16)15(6-5-14-10)7-8-3-1-2-4-9(8)13/h1-6H,7H2
InChIKeyURSOZLRLNBITPO-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.08
Rot. Bonds2

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

3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one (PubChem CID 114561555) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one
PubChem CID114561555
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one
SMILESO=c1c(Cl)nccn1Cc1ccccc1F
InChIInChI=1S/C11H8ClFN2O/c12-10-11(16)15(6-5-14-10)7-8-3-1-2-4-9(8)13/h1-6H,7H2
InChIKeyURSOZLRLNBITPO-UHFFFAOYSA-N
XLogP2.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one
CID 114561600
5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114583259
3-chloro-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 114561720
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-chloropyrazin-2-one
CID 114166476
1-[(2-fluorophenyl)methyl]-3-hydroxypyridin-2-one
CID 53235463
4-chloro-3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridine
CID 14199155
6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585464
6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114582406
3-chloro-1-[2-(2-nitrophenyl)ethyl]pyrazin-2-one
CID 114561625
1-[(2-fluorophenyl)methyl]pyridin-2-one
CID 664770
3-chloro-1-[(3-fluoro-4-nitrophenyl)methyl]pyrazin-2-one
CID 114561545
4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 2736823

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one?
The IUPAC name of 3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one (CID 114561555) is 3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one.
What is the SMILES notation for 3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one?
The canonical SMILES for 3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one is O=c1c(Cl)nccn1Cc1ccccc1F.
What is the InChIKey of 3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one?
The InChIKey is URSOZLRLNBITPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-10-11(16)15(6-5-14-10)7-8-3-1-2-4-9(8)13/h1-6H,7H2.
What are the key properties of 3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one?
3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one has a molecular weight of 238.65 g/mol, XLogP of 2.08, 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-fluorophenyl)methyl]pyrazin-2-one is sourced from PubChem (CID 114561555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).