2,6-dimethylpyridine-4-carboxylic acid

C8H9NO2 — CID 4531896

IUPAC2,6-dimethylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(C)n1
InChIInChI=1S/C8H9NO2/c1-5-3-7(8(10)11)4-6(2)9-5/h3-4H,1-2H3,(H,10,11)
InChIKeyJRJLLMLYUFAZOM-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.40
Rot. Bonds1

About 2,6-dimethylpyridine-4-carboxylic acid

2,6-dimethylpyridine-4-carboxylic acid (PubChem CID 4531896) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2,6-dimethylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethylpyridine-4-carboxylic acid
PubChem CID4531896
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2,6-dimethylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(C)n1
InChIInChI=1S/C8H9NO2/c1-5-3-7(8(10)11)4-6(2)9-5/h3-4H,1-2H3,(H,10,11)
InChIKeyJRJLLMLYUFAZOM-UHFFFAOYSA-N
XLogP1.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyridine-4-carboxylic acid?
The IUPAC name of 2,6-dimethylpyridine-4-carboxylic acid (CID 4531896) is 2,6-dimethylpyridine-4-carboxylic acid.
What is the SMILES notation for 2,6-dimethylpyridine-4-carboxylic acid?
The canonical SMILES for 2,6-dimethylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(C)n1.
What is the InChIKey of 2,6-dimethylpyridine-4-carboxylic acid?
The InChIKey is JRJLLMLYUFAZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5-3-7(8(10)11)4-6(2)9-5/h3-4H,1-2H3,(H,10,11).
What are the key properties of 2,6-dimethylpyridine-4-carboxylic acid?
2,6-dimethylpyridine-4-carboxylic acid has a molecular weight of 151.16 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyridine-4-carboxylic acid is sourced from PubChem (CID 4531896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).