3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid

C15H15NO2 — CID 170962767

IUPAC3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid
SMILESCc1cccc(-c2nc(C)cc(C(=O)O)c2C)c1
InChIInChI=1S/C15H15NO2/c1-9-5-4-6-12(7-9)14-11(3)13(15(17)18)8-10(2)16-14/h4-8H,1-3H3,(H,17,18)
InChIKeyKKNKJHPNEFVEPF-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.37
Rot. Bonds2

About 3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid

3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid (PubChem CID 170962767) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid
PubChem CID170962767
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid
SMILESCc1cccc(-c2nc(C)cc(C(=O)O)c2C)c1
InChIInChI=1S/C15H15NO2/c1-9-5-4-6-12(7-9)14-11(3)13(15(17)18)8-10(2)16-14/h4-8H,1-3H3,(H,17,18)
InChIKeyKKNKJHPNEFVEPF-UHFFFAOYSA-N
XLogP3.37
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid?
The IUPAC name of 3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid (CID 170962767) is 3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid is Cc1cccc(-c2nc(C)cc(C(=O)O)c2C)c1.
What is the InChIKey of 3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid?
The InChIKey is KKNKJHPNEFVEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-9-5-4-6-12(7-9)14-11(3)13(15(17)18)8-10(2)16-14/h4-8H,1-3H3,(H,17,18).
What are the key properties of 3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid?
3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 170962767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).