5-chloro-6-ethylpyrazine-2,3-dicarbonitrile

C8H5ClN4 — CID 12907199

IUPAC5-chloro-6-ethylpyrazine-2,3-dicarbonitrile
SMILESCCc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C8H5ClN4/c1-2-5-8(9)13-7(4-11)6(3-10)12-5/h2H2,1H3
InChIKeyQZDUYDPDUKPHAY-UHFFFAOYSA-N
MW192.61 g/mol
LogP1.44
Rot. Bonds1

About 5-chloro-6-ethylpyrazine-2,3-dicarbonitrile

5-chloro-6-ethylpyrazine-2,3-dicarbonitrile (PubChem CID 12907199) has the molecular formula C8H5ClN4 and a molecular weight of 192.61 g/mol. Its IUPAC name is 5-chloro-6-ethylpyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-chloro-6-ethylpyrazine-2,3-dicarbonitrile
PubChem CID12907199
Molecular FormulaC8H5ClN4
Molecular Weight192.61 g/mol
Exact Mass192.02
IUPAC Name5-chloro-6-ethylpyrazine-2,3-dicarbonitrile
SMILESCCc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C8H5ClN4/c1-2-5-8(9)13-7(4-11)6(3-10)12-5/h2H2,1H3
InChIKeyQZDUYDPDUKPHAY-UHFFFAOYSA-N
XLogP1.44
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Bromo-5-chloro-6-ethylpyrazine-2-carbonitrile
CID 123131811
3,5-Dichloro-6-ethylpyrazine-2-carbonitrile
CID 84819877
3-Chloro-5,6-dimethylpyrazine-2-carbonitrile
CID 292147
2-(3,5,6-Trichloropyrazin-2-yl)propanedinitrile
CID 13101674
2-(3-Chloro-5,6-dicyano-2-pyrazinyl)malononitrile
CID 129784218
5-Tert-butyl-6-chloro-2,3-pyrazinedicarbonitrile
CID 10857036
5-Chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile
CID 86170280
3-Chloro-5-ethyl-6-methyl-pyrazine-2-carbonitrile
CID 11159679
3-Chloro-6-ethyl-5-methyl-pyrazine-2-carbonitrile
CID 11355861
2,5-Dichloro-3,6-diethylpyrazine
CID 12548145
5-Chloro-6-methylpyrazine-2,3-dicarbonitrile
CID 12907198
2,3-Dicyano-5-chloro-6-n-propylpyrazine
CID 12907200

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethylpyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-chloro-6-ethylpyrazine-2,3-dicarbonitrile (CID 12907199) is 5-chloro-6-ethylpyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-chloro-6-ethylpyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-chloro-6-ethylpyrazine-2,3-dicarbonitrile is CCc1nc(C#N)c(C#N)nc1Cl.
What is the InChIKey of 5-chloro-6-ethylpyrazine-2,3-dicarbonitrile?
The InChIKey is QZDUYDPDUKPHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4/c1-2-5-8(9)13-7(4-11)6(3-10)12-5/h2H2,1H3.
What are the key properties of 5-chloro-6-ethylpyrazine-2,3-dicarbonitrile?
5-chloro-6-ethylpyrazine-2,3-dicarbonitrile has a molecular weight of 192.61 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethylpyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 12907199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).