6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one

C11H16INO2 — CID 86178106

IUPAC6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one
SMILESCOc1cc(CCCI)n(C)c(=O)c1C
InChIInChI=1S/C11H16INO2/c1-8-10(15-3)7-9(5-4-6-12)13(2)11(8)14/h7H,4-6H2,1-3H3
InChIKeyHUKLPJSGGOPBDB-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.07
Rot. Bonds4

About 6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one

6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one (PubChem CID 86178106) has the molecular formula C11H16INO2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one
PubChem CID86178106
Molecular FormulaC11H16INO2
Molecular Weight321.16 g/mol
Exact Mass321.02
IUPAC Name6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one
SMILESCOc1cc(CCCI)n(C)c(=O)c1C
InChIInChI=1S/C11H16INO2/c1-8-10(15-3)7-9(5-4-6-12)13(2)11(8)14/h7H,4-6H2,1-3H3
InChIKeyHUKLPJSGGOPBDB-UHFFFAOYSA-N
XLogP2.07
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.07
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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Frequently Asked Questions

What is the IUPAC name of 6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one?
The IUPAC name of 6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one (CID 86178106) is 6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one?
The canonical SMILES for 6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one is COc1cc(CCCI)n(C)c(=O)c1C.
What is the InChIKey of 6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one?
The InChIKey is HUKLPJSGGOPBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO2/c1-8-10(15-3)7-9(5-4-6-12)13(2)11(8)14/h7H,4-6H2,1-3H3.
What are the key properties of 6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one?
6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one has a molecular weight of 321.16 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-iodopropyl)-4-methoxy-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 86178106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).