2-(4-iodophenoxy)-3-methylpyrazine

C11H9IN2O — CID 83063242

IUPAC2-(4-iodophenoxy)-3-methylpyrazine
SMILESCc1nccnc1Oc1ccc(I)cc1
InChIInChI=1S/C11H9IN2O/c1-8-11(14-7-6-13-8)15-10-4-2-9(12)3-5-10/h2-7H,1H3
InChIKeyGLNCEUXGQGVRSJ-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.18
Rot. Bonds2

About 2-(4-iodophenoxy)-3-methylpyrazine

2-(4-iodophenoxy)-3-methylpyrazine (PubChem CID 83063242) has the molecular formula C11H9IN2O and a molecular weight of 312.11 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-3-methylpyrazine.

Molecular Properties

Compound Name2-(4-iodophenoxy)-3-methylpyrazine
PubChem CID83063242
Molecular FormulaC11H9IN2O
Molecular Weight312.11 g/mol
Exact Mass311.98
IUPAC Name2-(4-iodophenoxy)-3-methylpyrazine
SMILESCc1nccnc1Oc1ccc(I)cc1
InChIInChI=1S/C11H9IN2O/c1-8-11(14-7-6-13-8)15-10-4-2-9(12)3-5-10/h2-7H,1H3
InChIKeyGLNCEUXGQGVRSJ-UHFFFAOYSA-N
XLogP3.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(3-phenoxyphenoxy)pyrazine
CID 518376
3-chloro-2-(4-iodophenoxy)pyridine
CID 61400161
1-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
1-(4-iodophenoxy)-6-methoxyisoquinoline
CID 106536960
4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881028
2-(4-iodophenoxy)-4-methylpyrimidine
CID 62958901
3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine
CID 114448087
3-(4-iodophenoxy)-5,6-dimethylpyridazine-4-carboxylic acid
CID 62702753
5-bromo-4-(4-iodophenoxy)pyrimidine
CID 66342526
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881024
4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline
CID 83065097

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-3-methylpyrazine?
The IUPAC name of 2-(4-iodophenoxy)-3-methylpyrazine (CID 83063242) is 2-(4-iodophenoxy)-3-methylpyrazine.
What is the SMILES notation for 2-(4-iodophenoxy)-3-methylpyrazine?
The canonical SMILES for 2-(4-iodophenoxy)-3-methylpyrazine is Cc1nccnc1Oc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenoxy)-3-methylpyrazine?
The InChIKey is GLNCEUXGQGVRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O/c1-8-11(14-7-6-13-8)15-10-4-2-9(12)3-5-10/h2-7H,1H3.
What are the key properties of 2-(4-iodophenoxy)-3-methylpyrazine?
2-(4-iodophenoxy)-3-methylpyrazine has a molecular weight of 312.11 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-3-methylpyrazine is sourced from PubChem (CID 83063242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).