(1-methylpyridin-1-ium-3-yl)-triphenylstannane

C24H22NSn+ — CID 71337089

IUPAC(1-methylpyridin-1-ium-3-yl)-triphenylstannane
SMILESC[n+]1cccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C6H7N.3C6H5.Sn/c1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;/h2-3,5-6H,1H3;3*1-5H;/q+1;;;;
InChIKeyJDGZYZIVOYFBAH-UHFFFAOYSA-N
MW443.16 g/mol
LogP1.89
Rot. Bonds4

About (1-methylpyridin-1-ium-3-yl)-triphenylstannane

(1-methylpyridin-1-ium-3-yl)-triphenylstannane (PubChem CID 71337089) has the molecular formula C24H22NSn+ and a molecular weight of 443.16 g/mol. Its IUPAC name is (1-methylpyridin-1-ium-3-yl)-triphenylstannane.

Molecular Properties

Compound Name(1-methylpyridin-1-ium-3-yl)-triphenylstannane
PubChem CID71337089
Molecular FormulaC24H22NSn+
Molecular Weight443.16 g/mol
Exact Mass444.08
IUPAC Name(1-methylpyridin-1-ium-3-yl)-triphenylstannane
SMILESC[n+]1cccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C6H7N.3C6H5.Sn/c1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;/h2-3,5-6H,1H3;3*1-5H;/q+1;;;;
InChIKeyJDGZYZIVOYFBAH-UHFFFAOYSA-N
XLogP1.89
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.16
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyridin-1-ium-3-yl)-triphenylstannane?
The IUPAC name of (1-methylpyridin-1-ium-3-yl)-triphenylstannane (CID 71337089) is (1-methylpyridin-1-ium-3-yl)-triphenylstannane.
What is the SMILES notation for (1-methylpyridin-1-ium-3-yl)-triphenylstannane?
The canonical SMILES for (1-methylpyridin-1-ium-3-yl)-triphenylstannane is C[n+]1cccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (1-methylpyridin-1-ium-3-yl)-triphenylstannane?
The InChIKey is JDGZYZIVOYFBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.3C6H5.Sn/c1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;/h2-3,5-6H,1H3;3*1-5H;/q+1;;;;.
What are the key properties of (1-methylpyridin-1-ium-3-yl)-triphenylstannane?
(1-methylpyridin-1-ium-3-yl)-triphenylstannane has a molecular weight of 443.16 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyridin-1-ium-3-yl)-triphenylstannane is sourced from PubChem (CID 71337089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).