3,5,6-trichloropyrazine-2-carbonitrile

C5Cl3N3 — CID 84819884

IUPAC3,5,6-trichloropyrazine-2-carbonitrile
SMILESN#Cc1nc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C5Cl3N3/c6-3-2(1-9)10-4(7)5(8)11-3
InChIKeyVSLWHOCGIKPSJC-UHFFFAOYSA-N
MW208.44 g/mol
LogP2.31
Rot. Bonds

About 3,5,6-trichloropyrazine-2-carbonitrile

3,5,6-trichloropyrazine-2-carbonitrile (PubChem CID 84819884) has the molecular formula C5Cl3N3 and a molecular weight of 208.44 g/mol. Its IUPAC name is 3,5,6-trichloropyrazine-2-carbonitrile.

Molecular Properties

Compound Name3,5,6-trichloropyrazine-2-carbonitrile
PubChem CID84819884
Molecular FormulaC5Cl3N3
Molecular Weight208.44 g/mol
Exact Mass206.92
IUPAC Name3,5,6-trichloropyrazine-2-carbonitrile
SMILESN#Cc1nc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C5Cl3N3/c6-3-2(1-9)10-4(7)5(8)11-3
InChIKeyVSLWHOCGIKPSJC-UHFFFAOYSA-N
XLogP2.31
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.44
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloropyrazine-2-carbonitrile?
The IUPAC name of 3,5,6-trichloropyrazine-2-carbonitrile (CID 84819884) is 3,5,6-trichloropyrazine-2-carbonitrile.
What is the SMILES notation for 3,5,6-trichloropyrazine-2-carbonitrile?
The canonical SMILES for 3,5,6-trichloropyrazine-2-carbonitrile is N#Cc1nc(Cl)c(Cl)nc1Cl.
What is the InChIKey of 3,5,6-trichloropyrazine-2-carbonitrile?
The InChIKey is VSLWHOCGIKPSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl3N3/c6-3-2(1-9)10-4(7)5(8)11-3.
What are the key properties of 3,5,6-trichloropyrazine-2-carbonitrile?
3,5,6-trichloropyrazine-2-carbonitrile has a molecular weight of 208.44 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloropyrazine-2-carbonitrile is sourced from PubChem (CID 84819884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).