2-chloro-6-(2-methylpropoxy)pyrazine

C8H11ClN2O — CID 24688978

IUPAC2-chloro-6-(2-methylpropoxy)pyrazine
SMILESCC(C)COc1cncc(Cl)n1
InChIInChI=1S/C8H11ClN2O/c1-6(2)5-12-8-4-10-3-7(9)11-8/h3-4,6H,5H2,1-2H3
InChIKeySDCKYWPFPKFGLU-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.16
Rot. Bonds3

About 2-chloro-6-(2-methylpropoxy)pyrazine

2-chloro-6-(2-methylpropoxy)pyrazine (PubChem CID 24688978) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-chloro-6-(2-methylpropoxy)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(2-methylpropoxy)pyrazine
PubChem CID24688978
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-chloro-6-(2-methylpropoxy)pyrazine
SMILESCC(C)COc1cncc(Cl)n1
InChIInChI=1S/C8H11ClN2O/c1-6(2)5-12-8-4-10-3-7(9)11-8/h3-4,6H,5H2,1-2H3
InChIKeySDCKYWPFPKFGLU-UHFFFAOYSA-N
XLogP2.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-(3 or 5 or 6)-isopropylpyrazine
CID 13256887
2-Ethoxypyrazine
CID 2758778
2-Chloro-5-methoxypyrazine
CID 10986366
2-Chloro-6-methoxypyrazine
CID 11018999
2-Chloro-6-ethoxypyrazine
CID 23273445
2-Butoxypyrazine
CID 19784221
2-Propoxypyrazine
CID 23273416
2-Chloro-6-(prop-2-yn-1-yloxy)pyrazine
CID 18186849
2-Chloro-6-(cyclopentylmethoxy)pyrazine
CID 18186863
2-Chloro-6-(cyclohexyloxy)pyrazine
CID 24688908
2-Chloro-6-(propan-2-yloxy)pyrazine
CID 24689112
2-Chloro-6-(2,2,2-trifluoroethoxy)pyrazine
CID 24689340

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylpropoxy)pyrazine?
The IUPAC name of 2-chloro-6-(2-methylpropoxy)pyrazine (CID 24688978) is 2-chloro-6-(2-methylpropoxy)pyrazine.
What is the SMILES notation for 2-chloro-6-(2-methylpropoxy)pyrazine?
The canonical SMILES for 2-chloro-6-(2-methylpropoxy)pyrazine is CC(C)COc1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methylpropoxy)pyrazine?
The InChIKey is SDCKYWPFPKFGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-6(2)5-12-8-4-10-3-7(9)11-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-chloro-6-(2-methylpropoxy)pyrazine?
2-chloro-6-(2-methylpropoxy)pyrazine has a molecular weight of 186.64 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylpropoxy)pyrazine is sourced from PubChem (CID 24688978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).