3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine

C17H17N3+2 — CID 145493796

IUPAC3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine
SMILESC[n+]1ccccc1-c1cncc(-c2cccc[n+]2C)c1
InChIInChI=1S/C17H17N3/c1-19-9-5-3-7-16(19)14-11-15(13-18-12-14)17-8-4-6-10-20(17)2/h3-13H,1-2H3/q+2
InChIKeyDMRIMDSEINBZDO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.06
Rot. Bonds2

About 3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine

3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine (PubChem CID 145493796) has the molecular formula C17H17N3+2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine.

Molecular Properties

Compound Name3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine
PubChem CID145493796
Molecular FormulaC17H17N3+2
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine
SMILESC[n+]1ccccc1-c1cncc(-c2cccc[n+]2C)c1
InChIInChI=1S/C17H17N3/c1-19-9-5-3-7-16(19)14-11-15(13-18-12-14)17-8-4-6-10-20(17)2/h3-13H,1-2H3/q+2
InChIKeyDMRIMDSEINBZDO-UHFFFAOYSA-N
XLogP2.06
TPSA20.65 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine
CID 155692728
1-methyl-2-(3-methyl-5-pyridin-2-ylphenyl)pyridin-1-ium
CID 145489374
2,4,6-tris(1-methylpyridin-1-ium-2-yl)-1,3,5-triazine triiodide
CID 153315437
1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 58150990
2-(4-methoxyphenyl)-1-methylpyridin-1-ium iodide
CID 12957521
methoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol
CID 163247384
5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine
CID 123928207
1-methyl-2-[1-[4-[3-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium-3-yl]pyridin-1-ium
CID 4658052
1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium
CID 176645803
2-(4-isocyano-2-methylphenyl)-1-methylpyridin-1-ium
CID 176621919
2-(1-benzothiophen-2-yl)-1-methylpyridin-1-ium
CID 140700210

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine?
The IUPAC name of 3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine (CID 145493796) is 3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine.
What is the SMILES notation for 3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine?
The canonical SMILES for 3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine is C[n+]1ccccc1-c1cncc(-c2cccc[n+]2C)c1.
What is the InChIKey of 3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine?
The InChIKey is DMRIMDSEINBZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-19-9-5-3-7-16(19)14-11-15(13-18-12-14)17-8-4-6-10-20(17)2/h3-13H,1-2H3/q+2.
What are the key properties of 3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine?
3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine has a molecular weight of 263.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine is sourced from PubChem (CID 145493796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).