2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine

C9H12Cl2N2 — CID 14061121

IUPAC2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine
SMILESCc1nc(Cl)c(CC(C)C)nc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-5(2)4-7-9(11)12-6(3)8(10)13-7/h5H,4H2,1-3H3
InChIKeyGHTFTWOGDSAJOD-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.29
Rot. Bonds2

About 2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine

2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine (PubChem CID 14061121) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.11 g/mol. Its IUPAC name is 2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine.

Molecular Properties

Compound Name2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine
PubChem CID14061121
Molecular FormulaC9H12Cl2N2
Molecular Weight219.11 g/mol
Exact Mass218.04
IUPAC Name2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine
SMILESCc1nc(Cl)c(CC(C)C)nc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-5(2)4-7-9(11)12-6(3)8(10)13-7/h5H,4H2,1-3H3
InChIKeyGHTFTWOGDSAJOD-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine?
The IUPAC name of 2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine (CID 14061121) is 2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine.
What is the SMILES notation for 2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine?
The canonical SMILES for 2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine is Cc1nc(Cl)c(CC(C)C)nc1Cl.
What is the InChIKey of 2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine?
The InChIKey is GHTFTWOGDSAJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-5(2)4-7-9(11)12-6(3)8(10)13-7/h5H,4H2,1-3H3.
What are the key properties of 2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine?
2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine has a molecular weight of 219.11 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-methyl-6-(2-methylpropyl)pyrazine is sourced from PubChem (CID 14061121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).