3-(2-iodophenoxy)-1-methylpyrazin-2-one

C11H9IN2O2 — CID 62939733

IUPAC3-(2-iodophenoxy)-1-methylpyrazin-2-one
SMILESCn1ccnc(Oc2ccccc2I)c1=O
InChIInChI=1S/C11H9IN2O2/c1-14-7-6-13-10(11(14)15)16-9-5-3-2-4-8(9)12/h2-7H,1H3
InChIKeyDRBJZXNDTUNLBF-UHFFFAOYSA-N
MW328.11 g/mol
LogP2.18
Rot. Bonds2

About 3-(2-iodophenoxy)-1-methylpyrazin-2-one

3-(2-iodophenoxy)-1-methylpyrazin-2-one (PubChem CID 62939733) has the molecular formula C11H9IN2O2 and a molecular weight of 328.11 g/mol. Its IUPAC name is 3-(2-iodophenoxy)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(2-iodophenoxy)-1-methylpyrazin-2-one
PubChem CID62939733
Molecular FormulaC11H9IN2O2
Molecular Weight328.11 g/mol
Exact Mass327.97
IUPAC Name3-(2-iodophenoxy)-1-methylpyrazin-2-one
SMILESCn1ccnc(Oc2ccccc2I)c1=O
InChIInChI=1S/C11H9IN2O2/c1-14-7-6-13-10(11(14)15)16-9-5-3-2-4-8(9)12/h2-7H,1H3
InChIKeyDRBJZXNDTUNLBF-UHFFFAOYSA-N
XLogP2.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-iodophenoxy)-1-methylpyrazin-2-one?
The IUPAC name of 3-(2-iodophenoxy)-1-methylpyrazin-2-one (CID 62939733) is 3-(2-iodophenoxy)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(2-iodophenoxy)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(2-iodophenoxy)-1-methylpyrazin-2-one is Cn1ccnc(Oc2ccccc2I)c1=O.
What is the InChIKey of 3-(2-iodophenoxy)-1-methylpyrazin-2-one?
The InChIKey is DRBJZXNDTUNLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O2/c1-14-7-6-13-10(11(14)15)16-9-5-3-2-4-8(9)12/h2-7H,1H3.
What are the key properties of 3-(2-iodophenoxy)-1-methylpyrazin-2-one?
3-(2-iodophenoxy)-1-methylpyrazin-2-one has a molecular weight of 328.11 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenoxy)-1-methylpyrazin-2-one is sourced from PubChem (CID 62939733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).