6-(iodomethoxy)-1,2,3,4-tetrahydropyridine

C6H10INO — CID 138500253

IUPAC6-(iodomethoxy)-1,2,3,4-tetrahydropyridine
SMILESICOC1=CCCCN1
InChIInChI=1S/C6H10INO/c7-5-9-6-3-1-2-4-8-6/h3,8H,1-2,4-5H2
InChIKeyHMBUFGHYAWFFHX-UHFFFAOYSA-N
MW239.06 g/mol
LogP1.62
Rot. Bonds2

About 6-(iodomethoxy)-1,2,3,4-tetrahydropyridine

6-(iodomethoxy)-1,2,3,4-tetrahydropyridine (PubChem CID 138500253) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is 6-(iodomethoxy)-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name6-(iodomethoxy)-1,2,3,4-tetrahydropyridine
PubChem CID138500253
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC Name6-(iodomethoxy)-1,2,3,4-tetrahydropyridine
SMILESICOC1=CCCCN1
InChIInChI=1S/C6H10INO/c7-5-9-6-3-1-2-4-8-6/h3,8H,1-2,4-5H2
InChIKeyHMBUFGHYAWFFHX-UHFFFAOYSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-1,2,3,4-tetrahydropyridine
CID 55286086
lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate
CID 59100163
Lithium 1,2,3,4-tetrahydropyridin-6-olate
CID 21364239

Frequently Asked Questions

What is the IUPAC name of 6-(iodomethoxy)-1,2,3,4-tetrahydropyridine?
The IUPAC name of 6-(iodomethoxy)-1,2,3,4-tetrahydropyridine (CID 138500253) is 6-(iodomethoxy)-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 6-(iodomethoxy)-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 6-(iodomethoxy)-1,2,3,4-tetrahydropyridine is ICOC1=CCCCN1.
What is the InChIKey of 6-(iodomethoxy)-1,2,3,4-tetrahydropyridine?
The InChIKey is HMBUFGHYAWFFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO/c7-5-9-6-3-1-2-4-8-6/h3,8H,1-2,4-5H2.
What are the key properties of 6-(iodomethoxy)-1,2,3,4-tetrahydropyridine?
6-(iodomethoxy)-1,2,3,4-tetrahydropyridine has a molecular weight of 239.06 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(iodomethoxy)-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 138500253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).