2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine

C12H9Cl3N2O — CID 46177844

IUPAC2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine
SMILESCOc1nc(Cl)c(C)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl3N2O/c1-6-11(15)17-12(18-2)10(16-6)8-4-3-7(13)5-9(8)14/h3-5H,1-2H3
InChIKeySZNMKSCYYAGDLR-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.42
Rot. Bonds2

About 2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine

2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine (PubChem CID 46177844) has the molecular formula C12H9Cl3N2O and a molecular weight of 303.58 g/mol. Its IUPAC name is 2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine.

Molecular Properties

Compound Name2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine
PubChem CID46177844
Molecular FormulaC12H9Cl3N2O
Molecular Weight303.58 g/mol
Exact Mass301.98
IUPAC Name2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine
SMILESCOc1nc(Cl)c(C)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl3N2O/c1-6-11(15)17-12(18-2)10(16-6)8-4-3-7(13)5-9(8)14/h3-5H,1-2H3
InChIKeySZNMKSCYYAGDLR-UHFFFAOYSA-N
XLogP4.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine?
The IUPAC name of 2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine (CID 46177844) is 2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine.
What is the SMILES notation for 2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine?
The canonical SMILES for 2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine is COc1nc(Cl)c(C)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine?
The InChIKey is SZNMKSCYYAGDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O/c1-6-11(15)17-12(18-2)10(16-6)8-4-3-7(13)5-9(8)14/h3-5H,1-2H3.
What are the key properties of 2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine?
2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine has a molecular weight of 303.58 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine is sourced from PubChem (CID 46177844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).