2-[(2-chlorophenyl)methyl]-6-methylpyrazine

C12H11ClN2 — CID 70937873

IUPAC2-[(2-chlorophenyl)methyl]-6-methylpyrazine
SMILESCc1cncc(Cc2ccccc2Cl)n1
InChIInChI=1S/C12H11ClN2/c1-9-7-14-8-11(15-9)6-10-4-2-3-5-12(10)13/h2-5,7-8H,6H2,1H3
InChIKeyFRSREJZTKSWKBS-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.03
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-6-methylpyrazine

2-[(2-chlorophenyl)methyl]-6-methylpyrazine (PubChem CID 70937873) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-methylpyrazine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-methylpyrazine
PubChem CID70937873
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name2-[(2-chlorophenyl)methyl]-6-methylpyrazine
SMILESCc1cncc(Cc2ccccc2Cl)n1
InChIInChI=1S/C12H11ClN2/c1-9-7-14-8-11(15-9)6-10-4-2-3-5-12(10)13/h2-5,7-8H,6H2,1H3
InChIKeyFRSREJZTKSWKBS-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-methylpyrazine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-methylpyrazine (CID 70937873) is 2-[(2-chlorophenyl)methyl]-6-methylpyrazine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-methylpyrazine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-methylpyrazine is Cc1cncc(Cc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-methylpyrazine?
The InChIKey is FRSREJZTKSWKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-9-7-14-8-11(15-9)6-10-4-2-3-5-12(10)13/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-methylpyrazine?
2-[(2-chlorophenyl)methyl]-6-methylpyrazine has a molecular weight of 218.69 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-6-methylpyrazine is sourced from PubChem (CID 70937873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).