7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine

C8H8INO2 — CID 154556737

IUPAC7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
SMILESICc1cc2c(cn1)OCCO2
InChIInChI=1S/C8H8INO2/c9-4-6-3-7-8(5-10-6)12-2-1-11-7/h3,5H,1-2,4H2
InChIKeyQDPDDXLUZKXQAC-UHFFFAOYSA-N
MW277.06 g/mol
LogP1.79
Rot. Bonds1

About 7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine

7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine (PubChem CID 154556737) has the molecular formula C8H8INO2 and a molecular weight of 277.06 g/mol. Its IUPAC name is 7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine.

Molecular Properties

Compound Name7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
PubChem CID154556737
Molecular FormulaC8H8INO2
Molecular Weight277.06 g/mol
Exact Mass276.96
IUPAC Name7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
SMILESICc1cc2c(cn1)OCCO2
InChIInChI=1S/C8H8INO2/c9-4-6-3-7-8(5-10-6)12-2-1-11-7/h3,5H,1-2,4H2
InChIKeyQDPDDXLUZKXQAC-UHFFFAOYSA-N
XLogP1.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 51.79
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 7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The IUPAC name of 7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine (CID 154556737) is 7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine.
What is the SMILES notation for 7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The canonical SMILES for 7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine is ICc1cc2c(cn1)OCCO2.
What is the InChIKey of 7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The InChIKey is QDPDDXLUZKXQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2/c9-4-6-3-7-8(5-10-6)12-2-1-11-7/h3,5H,1-2,4H2.
What are the key properties of 7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine has a molecular weight of 277.06 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine is sourced from PubChem (CID 154556737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).