2-chloro-3,5,6-trimethyl(415N)pyrazine

C7H9ClN2 — CID 10419433

IUPAC2-chloro-3,5,6-trimethyl(415N)pyrazine
SMILESCc1nc(Cl)c(C)[15n]c1C
InChIInChI=1S/C7H9ClN2/c1-4-5(2)10-7(8)6(3)9-4/h1-3H3/i9+1
InChIKeyCDTPJKKZJMOPBS-QBZHADDCSA-N
MW157.61 g/mol
LogP2.06
Rot. Bonds

About 2-chloro-3,5,6-trimethyl(415N)pyrazine

2-chloro-3,5,6-trimethyl(415N)pyrazine (PubChem CID 10419433) has the molecular formula C7H9ClN2 and a molecular weight of 157.61 g/mol. Its IUPAC name is 2-chloro-3,5,6-trimethyl(415N)pyrazine.

Molecular Properties

Compound Name2-chloro-3,5,6-trimethyl(415N)pyrazine
PubChem CID10419433
Molecular FormulaC7H9ClN2
Molecular Weight157.61 g/mol
Exact Mass157.04
IUPAC Name2-chloro-3,5,6-trimethyl(415N)pyrazine
SMILESCc1nc(Cl)c(C)[15n]c1C
InChIInChI=1S/C7H9ClN2/c1-4-5(2)10-7(8)6(3)9-4/h1-3H3/i9+1
InChIKeyCDTPJKKZJMOPBS-QBZHADDCSA-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 ≤ 500157.61
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-trimethyl(415N)pyrazine?
The IUPAC name of 2-chloro-3,5,6-trimethyl(415N)pyrazine (CID 10419433) is 2-chloro-3,5,6-trimethyl(415N)pyrazine.
What is the SMILES notation for 2-chloro-3,5,6-trimethyl(415N)pyrazine?
The canonical SMILES for 2-chloro-3,5,6-trimethyl(415N)pyrazine is Cc1nc(Cl)c(C)[15n]c1C.
What is the InChIKey of 2-chloro-3,5,6-trimethyl(415N)pyrazine?
The InChIKey is CDTPJKKZJMOPBS-QBZHADDCSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-4-5(2)10-7(8)6(3)9-4/h1-3H3/i9+1.
What are the key properties of 2-chloro-3,5,6-trimethyl(415N)pyrazine?
2-chloro-3,5,6-trimethyl(415N)pyrazine has a molecular weight of 157.61 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-trimethyl(415N)pyrazine is sourced from PubChem (CID 10419433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).