2-(chloromethyl)-6-(3-iodophenoxy)pyrazine

C11H8ClIN2O — CID 66467349

IUPAC2-(chloromethyl)-6-(3-iodophenoxy)pyrazine
SMILESClCc1cncc(Oc2cccc(I)c2)n1
InChIInChI=1S/C11H8ClIN2O/c12-5-9-6-14-7-11(15-9)16-10-3-1-2-8(13)4-10/h1-4,6-7H,5H2
InChIKeyUOIRVQIYUQJOLA-UHFFFAOYSA-N
MW346.56 g/mol
LogP3.61
Rot. Bonds3

About 2-(chloromethyl)-6-(3-iodophenoxy)pyrazine

2-(chloromethyl)-6-(3-iodophenoxy)pyrazine (PubChem CID 66467349) has the molecular formula C11H8ClIN2O and a molecular weight of 346.56 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(3-iodophenoxy)pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(3-iodophenoxy)pyrazine
PubChem CID66467349
Molecular FormulaC11H8ClIN2O
Molecular Weight346.56 g/mol
Exact Mass345.94
IUPAC Name2-(chloromethyl)-6-(3-iodophenoxy)pyrazine
SMILESClCc1cncc(Oc2cccc(I)c2)n1
InChIInChI=1S/C11H8ClIN2O/c12-5-9-6-14-7-11(15-9)16-10-3-1-2-8(13)4-10/h1-4,6-7H,5H2
InChIKeyUOIRVQIYUQJOLA-UHFFFAOYSA-N
XLogP3.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-iodophenoxy)-N-methylpyrazin-2-amine
CID 80881366
2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine
CID 82716672
2-(chloromethyl)-6-(4-methylphenoxy)pyrazine
CID 66466203
2-(3-iodophenoxy)pyrazine
CID 60644113
5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine
CID 114921271
2-(chloromethyl)-6-[(6-methyl-3-pyridinyl)oxy]pyrazine
CID 66465754
2-(3-iodophenoxy)-6-methylpyridine
CID 61400141
[6-(3-fluorophenoxy)pyrazin-2-yl]methanol
CID 66467083
2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine
CID 66466210
[6-(3-bromophenoxy)pyrazin-2-yl]methanol
CID 66466850
1-(chloromethyl)-3-(3-iodophenoxy)benzene
CID 112594493
8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline
CID 66466889

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(3-iodophenoxy)pyrazine?
The IUPAC name of 2-(chloromethyl)-6-(3-iodophenoxy)pyrazine (CID 66467349) is 2-(chloromethyl)-6-(3-iodophenoxy)pyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-(3-iodophenoxy)pyrazine?
The canonical SMILES for 2-(chloromethyl)-6-(3-iodophenoxy)pyrazine is ClCc1cncc(Oc2cccc(I)c2)n1.
What is the InChIKey of 2-(chloromethyl)-6-(3-iodophenoxy)pyrazine?
The InChIKey is UOIRVQIYUQJOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClIN2O/c12-5-9-6-14-7-11(15-9)16-10-3-1-2-8(13)4-10/h1-4,6-7H,5H2.
What are the key properties of 2-(chloromethyl)-6-(3-iodophenoxy)pyrazine?
2-(chloromethyl)-6-(3-iodophenoxy)pyrazine has a molecular weight of 346.56 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(3-iodophenoxy)pyrazine is sourced from PubChem (CID 66467349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).