2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine

C13H14ClN3O — CID 103175405

IUPAC2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine
SMILESCCc1nc(C)ccc1Oc1cncc(CCl)n1
InChIInChI=1S/C13H14ClN3O/c1-3-11-12(5-4-9(2)16-11)18-13-8-15-7-10(6-14)17-13/h4-5,7-8H,3,6H2,1-2H3
InChIKeyQOCNNXAREOZKAJ-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.27
Rot. Bonds4

About 2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine

2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine (PubChem CID 103175405) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine
PubChem CID103175405
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine
SMILESCCc1nc(C)ccc1Oc1cncc(CCl)n1
InChIInChI=1S/C13H14ClN3O/c1-3-11-12(5-4-9(2)16-11)18-13-8-15-7-10(6-14)17-13/h4-5,7-8H,3,6H2,1-2H3
InChIKeyQOCNNXAREOZKAJ-UHFFFAOYSA-N
XLogP3.27
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine?
The IUPAC name of 2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine (CID 103175405) is 2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine?
The canonical SMILES for 2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine is CCc1nc(C)ccc1Oc1cncc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine?
The InChIKey is QOCNNXAREOZKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-11-12(5-4-9(2)16-11)18-13-8-15-7-10(6-14)17-13/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine?
2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine has a molecular weight of 263.73 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine is sourced from PubChem (CID 103175405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).