2-chloro-3-(1-ethoxyethenyl)pyrazine

C8H9ClN2O — CID 87600850

IUPAC2-chloro-3-(1-ethoxyethenyl)pyrazine
SMILESC=C(OCC)c1nccnc1Cl
InChIInChI=1S/C8H9ClN2O/c1-3-12-6(2)7-8(9)11-5-4-10-7/h4-5H,2-3H2,1H3
InChIKeyHTIXNHBBNMMNQJ-UHFFFAOYSA-N
MW184.63 g/mol
LogP2.14
Rot. Bonds3

About 2-chloro-3-(1-ethoxyethenyl)pyrazine

2-chloro-3-(1-ethoxyethenyl)pyrazine (PubChem CID 87600850) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-chloro-3-(1-ethoxyethenyl)pyrazine.

Molecular Properties

Compound Name2-chloro-3-(1-ethoxyethenyl)pyrazine
PubChem CID87600850
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-chloro-3-(1-ethoxyethenyl)pyrazine
SMILESC=C(OCC)c1nccnc1Cl
InChIInChI=1S/C8H9ClN2O/c1-3-12-6(2)7-8(9)11-5-4-10-7/h4-5H,2-3H2,1H3
InChIKeyHTIXNHBBNMMNQJ-UHFFFAOYSA-N
XLogP2.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1-ethoxyethenyl)pyrazine?
The IUPAC name of 2-chloro-3-(1-ethoxyethenyl)pyrazine (CID 87600850) is 2-chloro-3-(1-ethoxyethenyl)pyrazine.
What is the SMILES notation for 2-chloro-3-(1-ethoxyethenyl)pyrazine?
The canonical SMILES for 2-chloro-3-(1-ethoxyethenyl)pyrazine is C=C(OCC)c1nccnc1Cl.
What is the InChIKey of 2-chloro-3-(1-ethoxyethenyl)pyrazine?
The InChIKey is HTIXNHBBNMMNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-3-12-6(2)7-8(9)11-5-4-10-7/h4-5H,2-3H2,1H3.
What are the key properties of 2-chloro-3-(1-ethoxyethenyl)pyrazine?
2-chloro-3-(1-ethoxyethenyl)pyrazine has a molecular weight of 184.63 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1-ethoxyethenyl)pyrazine is sourced from PubChem (CID 87600850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).