2-chloro-3,5,6-trimethylpyrazine

C7H9ClN2 — CID 12600392

IUPAC2-chloro-3,5,6-trimethylpyrazine
SMILESCc1nc(C)c(Cl)nc1C
InChIInChI=1S/C7H9ClN2/c1-4-5(2)10-7(8)6(3)9-4/h1-3H3
InChIKeyCDTPJKKZJMOPBS-UHFFFAOYSA-N
MW156.62 g/mol
LogP2.06
Rot. Bonds

About 2-chloro-3,5,6-trimethylpyrazine

2-chloro-3,5,6-trimethylpyrazine (PubChem CID 12600392) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 2-chloro-3,5,6-trimethylpyrazine.

Molecular Properties

Compound Name2-chloro-3,5,6-trimethylpyrazine
PubChem CID12600392
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name2-chloro-3,5,6-trimethylpyrazine
SMILESCc1nc(C)c(Cl)nc1C
InChIInChI=1S/C7H9ClN2/c1-4-5(2)10-7(8)6(3)9-4/h1-3H3
InChIKeyCDTPJKKZJMOPBS-UHFFFAOYSA-N
XLogP2.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,5,6-trimethylpyrazine?
The IUPAC name of 2-chloro-3,5,6-trimethylpyrazine (CID 12600392) is 2-chloro-3,5,6-trimethylpyrazine.
What is the SMILES notation for 2-chloro-3,5,6-trimethylpyrazine?
The canonical SMILES for 2-chloro-3,5,6-trimethylpyrazine is Cc1nc(C)c(Cl)nc1C.
What is the InChIKey of 2-chloro-3,5,6-trimethylpyrazine?
The InChIKey is CDTPJKKZJMOPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-4-5(2)10-7(8)6(3)9-4/h1-3H3.
What are the key properties of 2-chloro-3,5,6-trimethylpyrazine?
2-chloro-3,5,6-trimethylpyrazine has a molecular weight of 156.62 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,5,6-trimethylpyrazine is sourced from PubChem (CID 12600392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).