2-(2,3-dichlorophenyl)-5-methylpyrazine

C11H8Cl2N2 — CID 151506673

IUPAC2-(2,3-dichlorophenyl)-5-methylpyrazine
SMILESCc1cnc(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C11H8Cl2N2/c1-7-5-15-10(6-14-7)8-3-2-4-9(12)11(8)13/h2-6H,1H3
InChIKeyPRONPUYMEXCEDB-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.76
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-5-methylpyrazine

2-(2,3-dichlorophenyl)-5-methylpyrazine (PubChem CID 151506673) has the molecular formula C11H8Cl2N2 and a molecular weight of 239.11 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-5-methylpyrazine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-5-methylpyrazine
PubChem CID151506673
Molecular FormulaC11H8Cl2N2
Molecular Weight239.11 g/mol
Exact Mass238.01
IUPAC Name2-(2,3-dichlorophenyl)-5-methylpyrazine
SMILESCc1cnc(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C11H8Cl2N2/c1-7-5-15-10(6-14-7)8-3-2-4-9(12)11(8)13/h2-6H,1H3
InChIKeyPRONPUYMEXCEDB-UHFFFAOYSA-N
XLogP3.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-5-methylpyrazine?
The IUPAC name of 2-(2,3-dichlorophenyl)-5-methylpyrazine (CID 151506673) is 2-(2,3-dichlorophenyl)-5-methylpyrazine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-5-methylpyrazine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-5-methylpyrazine is Cc1cnc(-c2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-5-methylpyrazine?
The InChIKey is PRONPUYMEXCEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2/c1-7-5-15-10(6-14-7)8-3-2-4-9(12)11(8)13/h2-6H,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-5-methylpyrazine?
2-(2,3-dichlorophenyl)-5-methylpyrazine has a molecular weight of 239.11 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-5-methylpyrazine is sourced from PubChem (CID 151506673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).