[6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane

C17H21GeN2+ — CID 170521644

IUPAC[6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane
SMILES[C-]#[N+]c1ccc(C)c(-c2ccc([Ge](C)(C)C)c[n+]2C)c1
InChIInChI=1S/C17H21GeN2/c1-13-7-9-15(19-5)11-16(13)17-10-8-14(12-20(17)6)18(2,3)4/h7-12H,1-4,6H3/q+1
InChIKeyWGWFXJWDCJUOPL-UHFFFAOYSA-N
MW325.98 g/mol
LogP3.58
Rot. Bonds2

About [6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane

[6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane (PubChem CID 170521644) has the molecular formula C17H21GeN2+ and a molecular weight of 325.98 g/mol. Its IUPAC name is [6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane.

Molecular Properties

Compound Name[6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane
PubChem CID170521644
Molecular FormulaC17H21GeN2+
Molecular Weight325.98 g/mol
Exact Mass327.09
IUPAC Name[6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane
SMILES[C-]#[N+]c1ccc(C)c(-c2ccc([Ge](C)(C)C)c[n+]2C)c1
InChIInChI=1S/C17H21GeN2/c1-13-7-9-15(19-5)11-16(13)17-10-8-14(12-20(17)6)18(2,3)4/h7-12H,1-4,6H3/q+1
InChIKeyWGWFXJWDCJUOPL-UHFFFAOYSA-N
XLogP3.58
TPSA8.24 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.98
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane?
The IUPAC name of [6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane (CID 170521644) is [6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane.
What is the SMILES notation for [6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane?
The canonical SMILES for [6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane is [C-]#[N+]c1ccc(C)c(-c2ccc([Ge](C)(C)C)c[n+]2C)c1.
What is the InChIKey of [6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane?
The InChIKey is WGWFXJWDCJUOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21GeN2/c1-13-7-9-15(19-5)11-16(13)17-10-8-14(12-20(17)6)18(2,3)4/h7-12H,1-4,6H3/q+1.
What are the key properties of [6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane?
[6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane has a molecular weight of 325.98 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-isocyano-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane is sourced from PubChem (CID 170521644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).