1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium

C18H20N3+3 — CID 58150990

IUPAC1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
SMILESC[n+]1ccccc1-c1cccc(-c2cccc[n+]2C)[n+]1C
InChIInChI=1S/C18H20N3/c1-19-13-6-4-9-15(19)17-11-8-12-18(21(17)3)16-10-5-7-14-20(16)2/h4-14H,1-3H3/q+3
InChIKeyMPMITJMXGHTLDV-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.49
Rot. Bonds2

About 1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium

1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium (PubChem CID 58150990) has the molecular formula C18H20N3+3 and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
PubChem CID58150990
Molecular FormulaC18H20N3+3
Molecular Weight278.38 g/mol
Exact Mass278.16
IUPAC Name1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
SMILESC[n+]1ccccc1-c1cccc(-c2cccc[n+]2C)[n+]1C
InChIInChI=1S/C18H20N3/c1-19-13-6-4-9-15(19)17-11-8-12-18(21(17)3)16-10-5-7-14-20(16)2/h4-14H,1-3H3/q+3
InChIKeyMPMITJMXGHTLDV-UHFFFAOYSA-N
XLogP1.49
TPSA11.64 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.49
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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Related Compounds

1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 169313124
2,4,6-tris(1-methylpyridin-1-ium-2-yl)-1,3,5-triazine triiodide
CID 153315437
2-[bis(2-methylphenyl)-phenylmethyl]-1-methyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 153276076
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine
CID 145493796
1-methyl-2-(2-methylsulfanylphenyl)pyridin-1-ium
CID 59187657
2-(4-methoxyphenyl)-1-methylpyridin-1-ium iodide
CID 12957521
methoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol
CID 163247384
2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium
CID 170543584
1,5-dimethyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]pyridin-1-ium
CID 140944271
2-methyl-3-[2-methyl-3-[2-[1-methyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]propan-2-yl]phenyl]isoquinolin-2-ium
CID 123315659

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium (CID 58150990) is 1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium is C[n+]1ccccc1-c1cccc(-c2cccc[n+]2C)[n+]1C.
What is the InChIKey of 1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium?
The InChIKey is MPMITJMXGHTLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N3/c1-19-13-6-4-9-15(19)17-11-8-12-18(21(17)3)16-10-5-7-14-20(16)2/h4-14H,1-3H3/q+3.
What are the key properties of 1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium?
1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium has a molecular weight of 278.38 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium is sourced from PubChem (CID 58150990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).