2,5-bis(chloromethyl)-3,6-dimethylpyrazine

C8H10Cl2N2 — CID 4101773

IUPAC2,5-bis(chloromethyl)-3,6-dimethylpyrazine
SMILESCc1nc(CCl)c(C)nc1CCl
InChIInChI=1S/C8H10Cl2N2/c1-5-7(3-9)12-6(2)8(4-10)11-5/h3-4H2,1-2H3
InChIKeyHYKXHOCMMJAEJR-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.57
Rot. Bonds2

About 2,5-bis(chloromethyl)-3,6-dimethylpyrazine

2,5-bis(chloromethyl)-3,6-dimethylpyrazine (PubChem CID 4101773) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 2,5-bis(chloromethyl)-3,6-dimethylpyrazine.

Molecular Properties

Compound Name2,5-bis(chloromethyl)-3,6-dimethylpyrazine
PubChem CID4101773
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name2,5-bis(chloromethyl)-3,6-dimethylpyrazine
SMILESCc1nc(CCl)c(C)nc1CCl
InChIInChI=1S/C8H10Cl2N2/c1-5-7(3-9)12-6(2)8(4-10)11-5/h3-4H2,1-2H3
InChIKeyHYKXHOCMMJAEJR-UHFFFAOYSA-N
XLogP2.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(chloromethyl)-3,6-dimethylpyrazine?
The IUPAC name of 2,5-bis(chloromethyl)-3,6-dimethylpyrazine (CID 4101773) is 2,5-bis(chloromethyl)-3,6-dimethylpyrazine.
What is the SMILES notation for 2,5-bis(chloromethyl)-3,6-dimethylpyrazine?
The canonical SMILES for 2,5-bis(chloromethyl)-3,6-dimethylpyrazine is Cc1nc(CCl)c(C)nc1CCl.
What is the InChIKey of 2,5-bis(chloromethyl)-3,6-dimethylpyrazine?
The InChIKey is HYKXHOCMMJAEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-5-7(3-9)12-6(2)8(4-10)11-5/h3-4H2,1-2H3.
What are the key properties of 2,5-bis(chloromethyl)-3,6-dimethylpyrazine?
2,5-bis(chloromethyl)-3,6-dimethylpyrazine has a molecular weight of 205.09 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(chloromethyl)-3,6-dimethylpyrazine is sourced from PubChem (CID 4101773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).