2,4,6-trimethylpyridine-3-carboxylic acid

C9H11NO2 — CID 2753085

IUPAC2,4,6-trimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(C)n1
InChIInChI=1S/C9H11NO2/c1-5-4-6(2)10-7(3)8(5)9(11)12/h4H,1-3H3,(H,11,12)
InChIKeyYUGIEZXMHZFOFD-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.71
Rot. Bonds1

About 2,4,6-trimethylpyridine-3-carboxylic acid

2,4,6-trimethylpyridine-3-carboxylic acid (PubChem CID 2753085) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2,4,6-trimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4,6-trimethylpyridine-3-carboxylic acid
PubChem CID2753085
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2,4,6-trimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(C)n1
InChIInChI=1S/C9H11NO2/c1-5-4-6(2)10-7(3)8(5)9(11)12/h4H,1-3H3,(H,11,12)
InChIKeyYUGIEZXMHZFOFD-UHFFFAOYSA-N
XLogP1.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylpyridine-3-carboxylic acid?
The IUPAC name of 2,4,6-trimethylpyridine-3-carboxylic acid (CID 2753085) is 2,4,6-trimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2,4,6-trimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2,4,6-trimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,4,6-trimethylpyridine-3-carboxylic acid?
The InChIKey is YUGIEZXMHZFOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-5-4-6(2)10-7(3)8(5)9(11)12/h4H,1-3H3,(H,11,12).
What are the key properties of 2,4,6-trimethylpyridine-3-carboxylic acid?
2,4,6-trimethylpyridine-3-carboxylic acid has a molecular weight of 165.19 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 2753085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).