2-chloro-6-(1-methoxyprop-1-enyl)pyrazine

C8H9ClN2O — CID 118220513

IUPAC2-chloro-6-(1-methoxyprop-1-enyl)pyrazine
SMILESCC=C(OC)c1cncc(Cl)n1
InChIInChI=1S/C8H9ClN2O/c1-3-7(12-2)6-4-10-5-8(9)11-6/h3-5H,1-2H3
InChIKeyOSLUYUYPEMMRKP-UHFFFAOYSA-N
MW184.63 g/mol
LogP2.14
Rot. Bonds2

About 2-chloro-6-(1-methoxyprop-1-enyl)pyrazine

2-chloro-6-(1-methoxyprop-1-enyl)pyrazine (PubChem CID 118220513) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-chloro-6-(1-methoxyprop-1-enyl)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(1-methoxyprop-1-enyl)pyrazine
PubChem CID118220513
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-chloro-6-(1-methoxyprop-1-enyl)pyrazine
SMILESCC=C(OC)c1cncc(Cl)n1
InChIInChI=1S/C8H9ClN2O/c1-3-7(12-2)6-4-10-5-8(9)11-6/h3-5H,1-2H3
InChIKeyOSLUYUYPEMMRKP-UHFFFAOYSA-N
XLogP2.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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'}

Analyze 2-chloro-6-(1-methoxyprop-1-enyl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-methoxyprop-1-enyl)pyrazine?
The IUPAC name of 2-chloro-6-(1-methoxyprop-1-enyl)pyrazine (CID 118220513) is 2-chloro-6-(1-methoxyprop-1-enyl)pyrazine.
What is the SMILES notation for 2-chloro-6-(1-methoxyprop-1-enyl)pyrazine?
The canonical SMILES for 2-chloro-6-(1-methoxyprop-1-enyl)pyrazine is CC=C(OC)c1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-(1-methoxyprop-1-enyl)pyrazine?
The InChIKey is OSLUYUYPEMMRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-3-7(12-2)6-4-10-5-8(9)11-6/h3-5H,1-2H3.
What are the key properties of 2-chloro-6-(1-methoxyprop-1-enyl)pyrazine?
2-chloro-6-(1-methoxyprop-1-enyl)pyrazine has a molecular weight of 184.63 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-methoxyprop-1-enyl)pyrazine is sourced from PubChem (CID 118220513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).