2-[(E)-but-1-enyl]-3-chloropyrazine

C8H9ClN2 — CID 134454771

IUPAC2-[(E)-but-1-enyl]-3-chloropyrazine
SMILESCC/C=C/c1nccnc1Cl
InChIInChI=1S/C8H9ClN2/c1-2-3-4-7-8(9)11-6-5-10-7/h3-6H,2H2,1H3/b4-3+
InChIKeyHVAXYYRFWGREDT-ONEGZZNKSA-N
MW168.63 g/mol
LogP2.55
Rot. Bonds2

About 2-[(E)-but-1-enyl]-3-chloropyrazine

2-[(E)-but-1-enyl]-3-chloropyrazine (PubChem CID 134454771) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-3-chloropyrazine.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-3-chloropyrazine
PubChem CID134454771
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name2-[(E)-but-1-enyl]-3-chloropyrazine
SMILESCC/C=C/c1nccnc1Cl
InChIInChI=1S/C8H9ClN2/c1-2-3-4-7-8(9)11-6-5-10-7/h3-6H,2H2,1H3/b4-3+
InChIKeyHVAXYYRFWGREDT-ONEGZZNKSA-N
XLogP2.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-enyl]-3-chloropyrazine?
The IUPAC name of 2-[(E)-but-1-enyl]-3-chloropyrazine (CID 134454771) is 2-[(E)-but-1-enyl]-3-chloropyrazine.
What is the SMILES notation for 2-[(E)-but-1-enyl]-3-chloropyrazine?
The canonical SMILES for 2-[(E)-but-1-enyl]-3-chloropyrazine is CC/C=C/c1nccnc1Cl.
What is the InChIKey of 2-[(E)-but-1-enyl]-3-chloropyrazine?
The InChIKey is HVAXYYRFWGREDT-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-2-3-4-7-8(9)11-6-5-10-7/h3-6H,2H2,1H3/b4-3+.
What are the key properties of 2-[(E)-but-1-enyl]-3-chloropyrazine?
2-[(E)-but-1-enyl]-3-chloropyrazine has a molecular weight of 168.63 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]-3-chloropyrazine is sourced from PubChem (CID 134454771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).