2-methyl-6-(2-methylphenyl)pyridin-1-ium

C13H14N+ — CID 135085463

IUPAC2-methyl-6-(2-methylphenyl)pyridin-1-ium
SMILESCc1cccc(-c2ccccc2C)[nH+]1
InChIInChI=1S/C13H13N/c1-10-6-3-4-8-12(10)13-9-5-7-11(2)14-13/h3-9H,1-2H3/p+1
InChIKeyNFSYCAPVOPVTAO-UHFFFAOYSA-O
MW184.26 g/mol
LogP2.78
Rot. Bonds1

About 2-methyl-6-(2-methylphenyl)pyridin-1-ium

2-methyl-6-(2-methylphenyl)pyridin-1-ium (PubChem CID 135085463) has the molecular formula C13H14N+ and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methyl-6-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name2-methyl-6-(2-methylphenyl)pyridin-1-ium
PubChem CID135085463
Molecular FormulaC13H14N+
Molecular Weight184.26 g/mol
Exact Mass184.11
IUPAC Name2-methyl-6-(2-methylphenyl)pyridin-1-ium
SMILESCc1cccc(-c2ccccc2C)[nH+]1
InChIInChI=1S/C13H13N/c1-10-6-3-4-8-12(10)13-9-5-7-11(2)14-13/h3-9H,1-2H3/p+1
InChIKeyNFSYCAPVOPVTAO-UHFFFAOYSA-O
XLogP2.78
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylphenyl)pyridin-1-ium?
The IUPAC name of 2-methyl-6-(2-methylphenyl)pyridin-1-ium (CID 135085463) is 2-methyl-6-(2-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 2-methyl-6-(2-methylphenyl)pyridin-1-ium?
The canonical SMILES for 2-methyl-6-(2-methylphenyl)pyridin-1-ium is Cc1cccc(-c2ccccc2C)[nH+]1.
What is the InChIKey of 2-methyl-6-(2-methylphenyl)pyridin-1-ium?
The InChIKey is NFSYCAPVOPVTAO-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13N/c1-10-6-3-4-8-12(10)13-9-5-7-11(2)14-13/h3-9H,1-2H3/p+1.
What are the key properties of 2-methyl-6-(2-methylphenyl)pyridin-1-ium?
2-methyl-6-(2-methylphenyl)pyridin-1-ium has a molecular weight of 184.26 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 135085463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).