4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid

C11H13NO2 — CID 141296628

IUPAC4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid
SMILESCC(C)=Cc1cc(C)cc(C(=O)O)n1
InChIInChI=1S/C11H13NO2/c1-7(2)4-9-5-8(3)6-10(12-9)11(13)14/h4-6H,1-3H3,(H,13,14)
InChIKeyKAPZQSLSBSPNOO-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.51
Rot. Bonds2

About 4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid

4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid (PubChem CID 141296628) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid
PubChem CID141296628
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid
SMILESCC(C)=Cc1cc(C)cc(C(=O)O)n1
InChIInChI=1S/C11H13NO2/c1-7(2)4-9-5-8(3)6-10(12-9)11(13)14/h4-6H,1-3H3,(H,13,14)
InChIKeyKAPZQSLSBSPNOO-UHFFFAOYSA-N
XLogP2.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid (CID 141296628) is 4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid is CC(C)=Cc1cc(C)cc(C(=O)O)n1.
What is the InChIKey of 4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid?
The InChIKey is KAPZQSLSBSPNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(2)4-9-5-8(3)6-10(12-9)11(13)14/h4-6H,1-3H3,(H,13,14).
What are the key properties of 4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid?
4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylprop-1-enyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 141296628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).