2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine

C9H9ClN2O2 — CID 123328937

IUPAC2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine
SMILESCOC(=C1CCO1)c1cncc(Cl)n1
InChIInChI=1S/C9H9ClN2O2/c1-13-9(7-2-3-14-7)6-4-11-5-8(10)12-6/h4-5H,2-3H2,1H3
InChIKeyWVCNDSGTFSTLRZ-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.87
Rot. Bonds2

About 2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine

2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine (PubChem CID 123328937) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine
PubChem CID123328937
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine
SMILESCOC(=C1CCO1)c1cncc(Cl)n1
InChIInChI=1S/C9H9ClN2O2/c1-13-9(7-2-3-14-7)6-4-11-5-8(10)12-6/h4-5H,2-3H2,1H3
InChIKeyWVCNDSGTFSTLRZ-UHFFFAOYSA-N
XLogP1.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine?
The IUPAC name of 2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine (CID 123328937) is 2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine.
What is the SMILES notation for 2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine?
The canonical SMILES for 2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine is COC(=C1CCO1)c1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine?
The InChIKey is WVCNDSGTFSTLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-13-9(7-2-3-14-7)6-4-11-5-8(10)12-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine?
2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine has a molecular weight of 212.64 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine is sourced from PubChem (CID 123328937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).