2-(2-chlorophenyl)-6-methylpyrazine

C11H9ClN2 — CID 126638866

IUPAC2-(2-chlorophenyl)-6-methylpyrazine
SMILESCc1cncc(-c2ccccc2Cl)n1
InChIInChI=1S/C11H9ClN2/c1-8-6-13-7-11(14-8)9-4-2-3-5-10(9)12/h2-7H,1H3
InChIKeyXHVQJQKPIDQRKE-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.11
Rot. Bonds1

About 2-(2-chlorophenyl)-6-methylpyrazine

2-(2-chlorophenyl)-6-methylpyrazine (PubChem CID 126638866) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-methylpyrazine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-methylpyrazine
PubChem CID126638866
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name2-(2-chlorophenyl)-6-methylpyrazine
SMILESCc1cncc(-c2ccccc2Cl)n1
InChIInChI=1S/C11H9ClN2/c1-8-6-13-7-11(14-8)9-4-2-3-5-10(9)12/h2-7H,1H3
InChIKeyXHVQJQKPIDQRKE-UHFFFAOYSA-N
XLogP3.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-methylpyrazine?
The IUPAC name of 2-(2-chlorophenyl)-6-methylpyrazine (CID 126638866) is 2-(2-chlorophenyl)-6-methylpyrazine.
What is the SMILES notation for 2-(2-chlorophenyl)-6-methylpyrazine?
The canonical SMILES for 2-(2-chlorophenyl)-6-methylpyrazine is Cc1cncc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-6-methylpyrazine?
The InChIKey is XHVQJQKPIDQRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c1-8-6-13-7-11(14-8)9-4-2-3-5-10(9)12/h2-7H,1H3.
What are the key properties of 2-(2-chlorophenyl)-6-methylpyrazine?
2-(2-chlorophenyl)-6-methylpyrazine has a molecular weight of 204.66 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-methylpyrazine is sourced from PubChem (CID 126638866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).