3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid

C11H15NO2 — CID 84664754

IUPAC3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid
SMILESCc1ccc(CC(C)C(=O)O)nc1C
InChIInChI=1S/C11H15NO2/c1-7-4-5-10(12-9(7)3)6-8(2)11(13)14/h4-5,8H,6H2,1-3H3,(H,13,14)
InChIKeyJPAXWFJOOQONCJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.96
Rot. Bonds3

About 3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid

3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid (PubChem CID 84664754) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid
PubChem CID84664754
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid
SMILESCc1ccc(CC(C)C(=O)O)nc1C
InChIInChI=1S/C11H15NO2/c1-7-4-5-10(12-9(7)3)6-8(2)11(13)14/h4-5,8H,6H2,1-3H3,(H,13,14)
InChIKeyJPAXWFJOOQONCJ-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid?
The IUPAC name of 3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid (CID 84664754) is 3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid is Cc1ccc(CC(C)C(=O)O)nc1C.
What is the InChIKey of 3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid?
The InChIKey is JPAXWFJOOQONCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-4-5-10(12-9(7)3)6-8(2)11(13)14/h4-5,8H,6H2,1-3H3,(H,13,14).
What are the key properties of 3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid?
3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid is sourced from PubChem (CID 84664754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).