(2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone

C12H9IN2O2 — CID 115797174

IUPAC(2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1ccccc1I
InChIInChI=1S/C12H9IN2O2/c1-17-12-10(14-6-7-15-12)11(16)8-4-2-3-5-9(8)13/h2-7H,1H3
InChIKeyQZBJBGHWISEUSY-UHFFFAOYSA-N
MW340.12 g/mol
LogP2.32
Rot. Bonds3

About (2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone

(2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone (PubChem CID 115797174) has the molecular formula C12H9IN2O2 and a molecular weight of 340.12 g/mol. Its IUPAC name is (2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name(2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone
PubChem CID115797174
Molecular FormulaC12H9IN2O2
Molecular Weight340.12 g/mol
Exact Mass339.97
IUPAC Name(2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1ccccc1I
InChIInChI=1S/C12H9IN2O2/c1-17-12-10(14-6-7-15-12)11(16)8-4-2-3-5-9(8)13/h2-7H,1H3
InChIKeyQZBJBGHWISEUSY-UHFFFAOYSA-N
XLogP2.32
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.12
LogP ≤ 52.32
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 (2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of (2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone (CID 115797174) is (2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for (2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for (2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone is COc1nccnc1C(=O)c1ccccc1I.
What is the InChIKey of (2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is QZBJBGHWISEUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IN2O2/c1-17-12-10(14-6-7-15-12)11(16)8-4-2-3-5-9(8)13/h2-7H,1H3.
What are the key properties of (2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone?
(2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 340.12 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 115797174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).