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

C11H10ClN3O — CID 66465754

IUPAC2-(chloromethyl)-6-[(6-methyl-3-pyridinyl)oxy]pyrazine
SMILESCc1ccc(Oc2cncc(CCl)n2)cn1
InChIInChI=1S/C11H10ClN3O/c1-8-2-3-10(6-14-8)16-11-7-13-5-9(4-12)15-11/h2-3,5-7H,4H2,1H3
InChIKeyZXWZBDUMHYNWAQ-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.71
Rot. Bonds3

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

2-(chloromethyl)-6-[(6-methyl-3-pyridinyl)oxy]pyrazine (PubChem CID 66465754) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-(chloromethyl)-6-[(6-methyl-3-pyridinyl)oxy]pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-[(6-methyl-3-pyridinyl)oxy]pyrazine
PubChem CID66465754
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name2-(chloromethyl)-6-[(6-methyl-3-pyridinyl)oxy]pyrazine
SMILESCc1ccc(Oc2cncc(CCl)n2)cn1
InChIInChI=1S/C11H10ClN3O/c1-8-2-3-10(6-14-8)16-11-7-13-5-9(4-12)15-11/h2-3,5-7H,4H2,1H3
InChIKeyZXWZBDUMHYNWAQ-UHFFFAOYSA-N
XLogP2.71
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.71
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-[(6-methyl-3-pyridinyl)oxy]pyrazine?
The IUPAC name of 2-(chloromethyl)-6-[(6-methyl-3-pyridinyl)oxy]pyrazine (CID 66465754) is 2-(chloromethyl)-6-[(6-methyl-3-pyridinyl)oxy]pyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-[(6-methyl-3-pyridinyl)oxy]pyrazine?
The canonical SMILES for 2-(chloromethyl)-6-[(6-methyl-3-pyridinyl)oxy]pyrazine is Cc1ccc(Oc2cncc(CCl)n2)cn1.
What is the InChIKey of 2-(chloromethyl)-6-[(6-methyl-3-pyridinyl)oxy]pyrazine?
The InChIKey is ZXWZBDUMHYNWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-8-2-3-10(6-14-8)16-11-7-13-5-9(4-12)15-11/h2-3,5-7H,4H2,1H3.
What are the key properties of 2-(chloromethyl)-6-[(6-methyl-3-pyridinyl)oxy]pyrazine?
2-(chloromethyl)-6-[(6-methyl-3-pyridinyl)oxy]pyrazine has a molecular weight of 235.67 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-[(6-methyl-3-pyridinyl)oxy]pyrazine is sourced from PubChem (CID 66465754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).