5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium

C13H15N2+ — CID 126755559

IUPAC5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium
SMILESC=c1ccc(C)c[n+]1=c1ccn(C)cc1
InChIInChI=1S/C13H15N2/c1-11-4-5-12(2)15(10-11)13-6-8-14(3)9-7-13/h4-10H,2H2,1,3H3/q+1
InChIKeyJQTMPCXPKOTWLV-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.11
Rot. Bonds

About 5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium

5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium (PubChem CID 126755559) has the molecular formula C13H15N2+ and a molecular weight of 199.28 g/mol. Its IUPAC name is 5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium.

Molecular Properties

Compound Name5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium
PubChem CID126755559
Molecular FormulaC13H15N2+
Molecular Weight199.28 g/mol
Exact Mass199.12
IUPAC Name5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium
SMILESC=c1ccc(C)c[n+]1=c1ccn(C)cc1
InChIInChI=1S/C13H15N2/c1-11-4-5-12(2)15(10-11)13-6-8-14(3)9-7-13/h4-10H,2H2,1,3H3/q+1
InChIKeyJQTMPCXPKOTWLV-UHFFFAOYSA-N
XLogP1.11
TPSA10.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium?
The IUPAC name of 5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium (CID 126755559) is 5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium.
What is the SMILES notation for 5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium?
The canonical SMILES for 5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium is C=c1ccc(C)c[n+]1=c1ccn(C)cc1.
What is the InChIKey of 5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium?
The InChIKey is JQTMPCXPKOTWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2/c1-11-4-5-12(2)15(10-11)13-6-8-14(3)9-7-13/h4-10H,2H2,1,3H3/q+1.
What are the key properties of 5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium?
5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium has a molecular weight of 199.28 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium is sourced from PubChem (CID 126755559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).