3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one

C12H10ClFN2O — CID 106521016

IUPAC3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one
SMILESCc1nc(-c2ccc(F)cc2Cl)c(=O)[nH]c1C
InChIInChI=1S/C12H10ClFN2O/c1-6-7(2)16-12(17)11(15-6)9-4-3-8(14)5-10(9)13/h3-5H,1-2H3,(H,16,17)
InChIKeyNCTRYSXSQIQXAP-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.85
Rot. Bonds1

About 3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one

3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one (PubChem CID 106521016) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one
PubChem CID106521016
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one
SMILESCc1nc(-c2ccc(F)cc2Cl)c(=O)[nH]c1C
InChIInChI=1S/C12H10ClFN2O/c1-6-7(2)16-12(17)11(15-6)9-4-3-8(14)5-10(9)13/h3-5H,1-2H3,(H,16,17)
InChIKeyNCTRYSXSQIQXAP-UHFFFAOYSA-N
XLogP2.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one (CID 106521016) is 3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one is Cc1nc(-c2ccc(F)cc2Cl)c(=O)[nH]c1C.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one?
The InChIKey is NCTRYSXSQIQXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-6-7(2)16-12(17)11(15-6)9-4-3-8(14)5-10(9)13/h3-5H,1-2H3,(H,16,17).
What are the key properties of 3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one?
3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one has a molecular weight of 252.68 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one is sourced from PubChem (CID 106521016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).