1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride

C16H24Cl4N2O3Si2 — CID 139108519

IUPAC1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride
SMILESC[Si@](CCl)(C[n+]1ccccc1O)O[Si@](C)(CCl)C[n+]1ccccc1O.[Cl-].[Cl-]
InChIInChI=1S/C16H22Cl2N2O3Si2.2ClH/c1-24(11-17,13-19-9-5-3-7-15(19)21)23-25(2,12-18)14-20-10-6-4-8-16(20)22;;/h3-10H,11-14H2,1-2H3;2*1H/t24-,25+;;
InChIKeyDOGGEGBSASUYCX-LODPTKLDSA-N
MW490.36 g/mol
LogP-3.82
Rot. Bonds8

About 1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride

1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride (PubChem CID 139108519) has the molecular formula C16H24Cl4N2O3Si2 and a molecular weight of 490.36 g/mol. Its IUPAC name is 1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride.

Molecular Properties

Compound Name1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride
PubChem CID139108519
Molecular FormulaC16H24Cl4N2O3Si2
Molecular Weight490.36 g/mol
Exact Mass488.01
IUPAC Name1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride
SMILESC[Si@](CCl)(C[n+]1ccccc1O)O[Si@](C)(CCl)C[n+]1ccccc1O.[Cl-].[Cl-]
InChIInChI=1S/C16H22Cl2N2O3Si2.2ClH/c1-24(11-17,13-19-9-5-3-7-15(19)21)23-25(2,12-18)14-20-10-6-4-8-16(20)22;;/h3-10H,11-14H2,1-2H3;2*1H/t24-,25+;;
InChIKeyDOGGEGBSASUYCX-LODPTKLDSA-N
XLogP-3.82
TPSA57.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.36
LogP ≤ 5-3.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol
CID 139108520
1-methoxypyridin-1-ium-2-ol
CID 90783098
methyl 1-(bromomethyl)pyridin-1-ium-2-carboxylate
CID 840352
benzene-1,4-diol;trimethyl(trimethylsilyloxy)silane
CID 21140435
2-methyl-1-[2-[2-[2-[2-(2-methylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium dichloride
CID 24742087
1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol
CID 175062485
2-chloroethyl(trimethyl)azanium;phenol;chloride
CID 139335706
[dimethyl-(1-oxidopyridin-1-ium-2-yl)silyl]oxy-dimethyl-(1-oxidopyridin-1-ium-2-yl)silane
CID 14598000
chloromethyl-(furan-2-yl)-dimethylsilane
CID 10397285
1-hydroxy-N-methylpyridin-1-ium-2-amine
CID 23422249
1-hexadecyl-2-pyridin-2-ylpyridin-1-ium
CID 10367049
1-pentadecyl-2-pyridin-2-ylpyridin-1-ium
CID 10003749

Frequently Asked Questions

What is the IUPAC name of 1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride?
The IUPAC name of 1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride (CID 139108519) is 1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride.
What is the SMILES notation for 1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride?
The canonical SMILES for 1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride is C[Si@](CCl)(C[n+]1ccccc1O)O[Si@](C)(CCl)C[n+]1ccccc1O.[Cl-].[Cl-].
What is the InChIKey of 1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride?
The InChIKey is DOGGEGBSASUYCX-LODPTKLDSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3Si2.2ClH/c1-24(11-17,13-19-9-5-3-7-15(19)21)23-25(2,12-18)14-20-10-6-4-8-16(20)22;;/h3-10H,11-14H2,1-2H3;2*1H/t24-,25+;;.
What are the key properties of 1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride?
1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride has a molecular weight of 490.36 g/mol, XLogP of -3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[chloromethyl-[chloromethyl-[(2-hydroxypyridin-1-ium-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]pyridin-1-ium-2-ol dichloride is sourced from PubChem (CID 139108519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).