3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one

C12H8Cl2F2N2O — CID 139755979

IUPAC3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one
SMILESCc1nc(-c2ccc(Cl)cc2Cl)c(=O)[nH]c1C(F)F
InChIInChI=1S/C12H8Cl2F2N2O/c1-5-9(11(15)16)18-12(19)10(17-5)7-3-2-6(13)4-8(7)14/h2-4,11H,1H3,(H,18,19)
InChIKeyCXOVIHSOPTUMEP-UHFFFAOYSA-N
MW305.11 g/mol
LogP3.99
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one

3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one (PubChem CID 139755979) has the molecular formula C12H8Cl2F2N2O and a molecular weight of 305.11 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one
PubChem CID139755979
Molecular FormulaC12H8Cl2F2N2O
Molecular Weight305.11 g/mol
Exact Mass304.00
IUPAC Name3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one
SMILESCc1nc(-c2ccc(Cl)cc2Cl)c(=O)[nH]c1C(F)F
InChIInChI=1S/C12H8Cl2F2N2O/c1-5-9(11(15)16)18-12(19)10(17-5)7-3-2-6(13)4-8(7)14/h2-4,11H,1H3,(H,18,19)
InChIKeyCXOVIHSOPTUMEP-UHFFFAOYSA-N
XLogP3.99
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.11
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one (CID 139755979) is 3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one is Cc1nc(-c2ccc(Cl)cc2Cl)c(=O)[nH]c1C(F)F.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one?
The InChIKey is CXOVIHSOPTUMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2N2O/c1-5-9(11(15)16)18-12(19)10(17-5)7-3-2-6(13)4-8(7)14/h2-4,11H,1H3,(H,18,19).
What are the key properties of 3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one?
3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one has a molecular weight of 305.11 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 139755979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).