2,5-dichloro-3,6-dimethylpyrazine

C6H6Cl2N2 — CID 10877681

IUPAC2,5-dichloro-3,6-dimethylpyrazine
SMILESCc1nc(Cl)c(C)nc1Cl
InChIInChI=1S/C6H6Cl2N2/c1-3-5(7)10-4(2)6(8)9-3/h1-2H3
InChIKeyNKIZSFXAIKPBCL-UHFFFAOYSA-N
MW177.03 g/mol
LogP2.40
Rot. Bonds

About 2,5-dichloro-3,6-dimethylpyrazine

2,5-dichloro-3,6-dimethylpyrazine (PubChem CID 10877681) has the molecular formula C6H6Cl2N2 and a molecular weight of 177.03 g/mol. Its IUPAC name is 2,5-dichloro-3,6-dimethylpyrazine.

Molecular Properties

Compound Name2,5-dichloro-3,6-dimethylpyrazine
PubChem CID10877681
Molecular FormulaC6H6Cl2N2
Molecular Weight177.03 g/mol
Exact Mass175.99
IUPAC Name2,5-dichloro-3,6-dimethylpyrazine
SMILESCc1nc(Cl)c(C)nc1Cl
InChIInChI=1S/C6H6Cl2N2/c1-3-5(7)10-4(2)6(8)9-3/h1-2H3
InChIKeyNKIZSFXAIKPBCL-UHFFFAOYSA-N
XLogP2.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3,6-dimethylpyrazine?
The IUPAC name of 2,5-dichloro-3,6-dimethylpyrazine (CID 10877681) is 2,5-dichloro-3,6-dimethylpyrazine.
What is the SMILES notation for 2,5-dichloro-3,6-dimethylpyrazine?
The canonical SMILES for 2,5-dichloro-3,6-dimethylpyrazine is Cc1nc(Cl)c(C)nc1Cl.
What is the InChIKey of 2,5-dichloro-3,6-dimethylpyrazine?
The InChIKey is NKIZSFXAIKPBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2/c1-3-5(7)10-4(2)6(8)9-3/h1-2H3.
What are the key properties of 2,5-dichloro-3,6-dimethylpyrazine?
2,5-dichloro-3,6-dimethylpyrazine has a molecular weight of 177.03 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3,6-dimethylpyrazine is sourced from PubChem (CID 10877681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).