3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile

C8H8ClN3 — CID 11159679

IUPAC3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile
SMILESCCc1nc(Cl)c(C#N)nc1C
InChIInChI=1S/C8H8ClN3/c1-3-6-5(2)11-7(4-10)8(9)12-6/h3H2,1-2H3
InChIKeyPVMFSFJXLROPKO-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.87
Rot. Bonds1

About 3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile

3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile (PubChem CID 11159679) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile
PubChem CID11159679
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile
SMILESCCc1nc(Cl)c(C#N)nc1C
InChIInChI=1S/C8H8ClN3/c1-3-6-5(2)11-7(4-10)8(9)12-6/h3H2,1-2H3
InChIKeyPVMFSFJXLROPKO-UHFFFAOYSA-N
XLogP1.87
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-3,5,6-trimethylpyrazine
CID 28518
2,3-Dichloro-5,6-diethylpyrazine
CID 75480947
5,6-Diethylpyrazine-2,3-dicarbonitrile
CID 821189
3,5-Dichloro-6-ethylpyrazine-2-carbonitrile
CID 84819877
2-Chloro-3,6-diethyl-5-methylpyrazine
CID 134990072
5-Chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile
CID 86170280
3-Chloro-6-ethyl-5-methyl-pyrazine-2-carbonitrile
CID 11355861
5-Chloro-6-ethylpyrazine-2,3-dicarbonitrile
CID 12907199
2,3-Dicyano-5-chloro-6-n-propylpyrazine
CID 12907200
5-Butyl-6-chloropyrazine-2,3-dicarbonitrile
CID 12907201
3-Chloro-5-ethyl-6-methyl-1-oxidopyrazin-1-ium-2-carbonitrile
CID 18753274
3-Chloro-6-ethyl-5-methyl-1-oxidopyrazin-1-ium-2-carbonitrile
CID 18753297

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile?
The IUPAC name of 3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile (CID 11159679) is 3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile?
The canonical SMILES for 3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile is CCc1nc(Cl)c(C#N)nc1C.
What is the InChIKey of 3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile?
The InChIKey is PVMFSFJXLROPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-3-6-5(2)11-7(4-10)8(9)12-6/h3H2,1-2H3.
What are the key properties of 3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile?
3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile has a molecular weight of 181.63 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethyl-6-methylpyrazine-2-carbonitrile is sourced from PubChem (CID 11159679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).