2,5-dichloro-3,6-diethylpyrazine

C8H10Cl2N2 — CID 12548145

IUPAC2,5-dichloro-3,6-diethylpyrazine
SMILESCCc1nc(Cl)c(CC)nc1Cl
InChIInChI=1S/C8H10Cl2N2/c1-3-5-7(9)12-6(4-2)8(10)11-5/h3-4H2,1-2H3
InChIKeyZJCPOWPCEMWZHJ-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.91
Rot. Bonds2

About 2,5-dichloro-3,6-diethylpyrazine

2,5-dichloro-3,6-diethylpyrazine (PubChem CID 12548145) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 2,5-dichloro-3,6-diethylpyrazine.

Molecular Properties

Compound Name2,5-dichloro-3,6-diethylpyrazine
PubChem CID12548145
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name2,5-dichloro-3,6-diethylpyrazine
SMILESCCc1nc(Cl)c(CC)nc1Cl
InChIInChI=1S/C8H10Cl2N2/c1-3-5-7(9)12-6(4-2)8(10)11-5/h3-4H2,1-2H3
InChIKeyZJCPOWPCEMWZHJ-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloro-3,5,6-trimethylpyrazine
CID 12600392
2,5-Dichloro-3,6-di(propan-2-yl)pyrazine
CID 12429637
2,5-Dichloro-3,6-dimethylpyrazine
CID 10877681
2,5-Dichloro-3,6-bis(2-methylpropyl)pyrazine
CID 12429638
3,5-Dichloro-6-ethylpyrazine-2-carbonitrile
CID 84819877
2,5-bis[(2S)-butan-2-yl]-3,6-dichloropyrazine
CID 134965891
2,5-Dichloro-3,6-dipropylpyrazine
CID 12429636
2,5-Dichloro-1-oxido-3,6-dipropylpyrazin-1-ium
CID 12730789
2,5-Di(butan-2-yl)-3,6-dichloropyrazine
CID 13554885
2-Chloro-3,6-diethyl-5-methylpyrazine
CID 134990072
2,5-Bis(chloromethyl)-3,6-dimethylpyrazine
CID 4101773
2,6-Dichloro-3,5-dimethylpyrazine
CID 10487521

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3,6-diethylpyrazine?
The IUPAC name of 2,5-dichloro-3,6-diethylpyrazine (CID 12548145) is 2,5-dichloro-3,6-diethylpyrazine.
What is the SMILES notation for 2,5-dichloro-3,6-diethylpyrazine?
The canonical SMILES for 2,5-dichloro-3,6-diethylpyrazine is CCc1nc(Cl)c(CC)nc1Cl.
What is the InChIKey of 2,5-dichloro-3,6-diethylpyrazine?
The InChIKey is ZJCPOWPCEMWZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-3-5-7(9)12-6(4-2)8(10)11-5/h3-4H2,1-2H3.
What are the key properties of 2,5-dichloro-3,6-diethylpyrazine?
2,5-dichloro-3,6-diethylpyrazine has a molecular weight of 205.09 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3,6-diethylpyrazine is sourced from PubChem (CID 12548145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).