4-(hexoxymethyl)-2,6-diiodopyridine

C12H17I2NO — CID 11525108

IUPAC4-(hexoxymethyl)-2,6-diiodopyridine
SMILESCCCCCCOCc1cc(I)nc(I)c1
InChIInChI=1S/C12H17I2NO/c1-2-3-4-5-6-16-9-10-7-11(13)15-12(14)8-10/h7-8H,2-6,9H2,1H3
InChIKeyBLWRXZYSLRXAPU-UHFFFAOYSA-N
MW445.08 g/mol
LogP4.39
Rot. Bonds7

About 4-(hexoxymethyl)-2,6-diiodopyridine

4-(hexoxymethyl)-2,6-diiodopyridine (PubChem CID 11525108) has the molecular formula C12H17I2NO and a molecular weight of 445.08 g/mol. Its IUPAC name is 4-(hexoxymethyl)-2,6-diiodopyridine.

Molecular Properties

Compound Name4-(hexoxymethyl)-2,6-diiodopyridine
PubChem CID11525108
Molecular FormulaC12H17I2NO
Molecular Weight445.08 g/mol
Exact Mass444.94
IUPAC Name4-(hexoxymethyl)-2,6-diiodopyridine
SMILESCCCCCCOCc1cc(I)nc(I)c1
InChIInChI=1S/C12H17I2NO/c1-2-3-4-5-6-16-9-10-7-11(13)15-12(14)8-10/h7-8H,2-6,9H2,1H3
InChIKeyBLWRXZYSLRXAPU-UHFFFAOYSA-N
XLogP4.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.08
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-4-(hexoxymethyl)pyridine
CID 11002629
4-(dodecoxymethyl)pyridine
CID 175554630
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
4-(hexoxymethyl)phenol
CID 14816980
azane;hexoxymethylbenzene
CID 174805489
1-methyl-4-(octoxymethyl)benzene
CID 86156710
[4-(heptoxymethyl)phenyl]-trimethylsilane
CID 103438642
2-hexadecoxyethoxymethylbenzene
CID 19965709
1-(chloromethyl)-4-(dodecoxymethyl)benzene
CID 71367802
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482

Frequently Asked Questions

What is the IUPAC name of 4-(hexoxymethyl)-2,6-diiodopyridine?
The IUPAC name of 4-(hexoxymethyl)-2,6-diiodopyridine (CID 11525108) is 4-(hexoxymethyl)-2,6-diiodopyridine.
What is the SMILES notation for 4-(hexoxymethyl)-2,6-diiodopyridine?
The canonical SMILES for 4-(hexoxymethyl)-2,6-diiodopyridine is CCCCCCOCc1cc(I)nc(I)c1.
What is the InChIKey of 4-(hexoxymethyl)-2,6-diiodopyridine?
The InChIKey is BLWRXZYSLRXAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17I2NO/c1-2-3-4-5-6-16-9-10-7-11(13)15-12(14)8-10/h7-8H,2-6,9H2,1H3.
What are the key properties of 4-(hexoxymethyl)-2,6-diiodopyridine?
4-(hexoxymethyl)-2,6-diiodopyridine has a molecular weight of 445.08 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexoxymethyl)-2,6-diiodopyridine is sourced from PubChem (CID 11525108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).