2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid

C11H15NO2 — CID 57437203

IUPAC2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(CC(C)C)n1
InChIInChI=1S/C11H15NO2/c1-7(2)4-10-6-9(11(13)14)5-8(3)12-10/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyFEEBBKLMWUZAMB-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.29
Rot. Bonds3

About 2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid

2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid (PubChem CID 57437203) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid
PubChem CID57437203
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(CC(C)C)n1
InChIInChI=1S/C11H15NO2/c1-7(2)4-10-6-9(11(13)14)5-8(3)12-10/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyFEEBBKLMWUZAMB-UHFFFAOYSA-N
XLogP2.29
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid (CID 57437203) is 2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(CC(C)C)n1.
What is the InChIKey of 2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid?
The InChIKey is FEEBBKLMWUZAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(2)4-10-6-9(11(13)14)5-8(3)12-10/h5-7H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid?
2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid has a molecular weight of 193.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 57437203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).