5-butyl-6-chloropyrazine-2,3-dicarbonitrile

C10H9ClN4 — CID 12907201

IUPAC5-butyl-6-chloropyrazine-2,3-dicarbonitrile
SMILESCCCCc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C10H9ClN4/c1-2-3-4-7-10(11)15-9(6-13)8(5-12)14-7/h2-4H2,1H3
InChIKeyMDXNKKBBAVUXSS-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.22
Rot. Bonds3

About 5-butyl-6-chloropyrazine-2,3-dicarbonitrile

5-butyl-6-chloropyrazine-2,3-dicarbonitrile (PubChem CID 12907201) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is 5-butyl-6-chloropyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-butyl-6-chloropyrazine-2,3-dicarbonitrile
PubChem CID12907201
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name5-butyl-6-chloropyrazine-2,3-dicarbonitrile
SMILESCCCCc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C10H9ClN4/c1-2-3-4-7-10(11)15-9(6-13)8(5-12)14-7/h2-4H2,1H3
InChIKeyMDXNKKBBAVUXSS-UHFFFAOYSA-N
XLogP2.22
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-chloropyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-butyl-6-chloropyrazine-2,3-dicarbonitrile (CID 12907201) is 5-butyl-6-chloropyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-butyl-6-chloropyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-butyl-6-chloropyrazine-2,3-dicarbonitrile is CCCCc1nc(C#N)c(C#N)nc1Cl.
What is the InChIKey of 5-butyl-6-chloropyrazine-2,3-dicarbonitrile?
The InChIKey is MDXNKKBBAVUXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4/c1-2-3-4-7-10(11)15-9(6-13)8(5-12)14-7/h2-4H2,1H3.
What are the key properties of 5-butyl-6-chloropyrazine-2,3-dicarbonitrile?
5-butyl-6-chloropyrazine-2,3-dicarbonitrile has a molecular weight of 220.66 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-chloropyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 12907201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).