3,5-dichloro-6-ethylpyrazine-2-carbonitrile

C7H5Cl2N3 — CID 84819877

IUPAC3,5-dichloro-6-ethylpyrazine-2-carbonitrile
SMILESCCc1nc(C#N)c(Cl)nc1Cl
InChIInChI=1S/C7H5Cl2N3/c1-2-4-6(8)12-7(9)5(3-10)11-4/h2H2,1H3
InChIKeyBOMIYODDZMTKBX-UHFFFAOYSA-N
MW202.04 g/mol
LogP2.22
Rot. Bonds1

About 3,5-dichloro-6-ethylpyrazine-2-carbonitrile

3,5-dichloro-6-ethylpyrazine-2-carbonitrile (PubChem CID 84819877) has the molecular formula C7H5Cl2N3 and a molecular weight of 202.04 g/mol. Its IUPAC name is 3,5-dichloro-6-ethylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3,5-dichloro-6-ethylpyrazine-2-carbonitrile
PubChem CID84819877
Molecular FormulaC7H5Cl2N3
Molecular Weight202.04 g/mol
Exact Mass200.99
IUPAC Name3,5-dichloro-6-ethylpyrazine-2-carbonitrile
SMILESCCc1nc(C#N)c(Cl)nc1Cl
InChIInChI=1S/C7H5Cl2N3/c1-2-4-6(8)12-7(9)5(3-10)11-4/h2H2,1H3
InChIKeyBOMIYODDZMTKBX-UHFFFAOYSA-N
XLogP2.22
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-5-chloro-6-ethylpyrazine-2-carbonitrile
CID 123131811
2,5-Dichloro-3,6-di(propan-2-yl)pyrazine
CID 12429637
2,5-Dichloro-3,6-dimethylpyrazine
CID 10877681
3-Chloro-5,6-dimethylpyrazine-2-carbonitrile
CID 292147
2,5-Dichloro-3,6-dipropylpyrazine
CID 12429636
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
2,6-Dichloro-3,5-dimethylpyrazine
CID 10487521
3-Chloro-5-ethyl-6-methyl-pyrazine-2-carbonitrile
CID 11159679
3-Chloro-6-ethyl-5-methyl-pyrazine-2-carbonitrile
CID 11355861

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-ethylpyrazine-2-carbonitrile?
The IUPAC name of 3,5-dichloro-6-ethylpyrazine-2-carbonitrile (CID 84819877) is 3,5-dichloro-6-ethylpyrazine-2-carbonitrile.
What is the SMILES notation for 3,5-dichloro-6-ethylpyrazine-2-carbonitrile?
The canonical SMILES for 3,5-dichloro-6-ethylpyrazine-2-carbonitrile is CCc1nc(C#N)c(Cl)nc1Cl.
What is the InChIKey of 3,5-dichloro-6-ethylpyrazine-2-carbonitrile?
The InChIKey is BOMIYODDZMTKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N3/c1-2-4-6(8)12-7(9)5(3-10)11-4/h2H2,1H3.
What are the key properties of 3,5-dichloro-6-ethylpyrazine-2-carbonitrile?
3,5-dichloro-6-ethylpyrazine-2-carbonitrile has a molecular weight of 202.04 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-ethylpyrazine-2-carbonitrile is sourced from PubChem (CID 84819877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).