6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid

C17H19NO2 — CID 162271803

IUPAC6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid
SMILESCCc1cc(-c2c(C)cc(C)cc2C)cc(C(=O)O)n1
InChIInChI=1S/C17H19NO2/c1-5-14-8-13(9-15(18-14)17(19)20)16-11(3)6-10(2)7-12(16)4/h6-9H,5H2,1-4H3,(H,19,20)
InChIKeyYVRGCVNLUPHFJW-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.93
Rot. Bonds3

About 6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid

6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid (PubChem CID 162271803) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid
PubChem CID162271803
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid
SMILESCCc1cc(-c2c(C)cc(C)cc2C)cc(C(=O)O)n1
InChIInChI=1S/C17H19NO2/c1-5-14-8-13(9-15(18-14)17(19)20)16-11(3)6-10(2)7-12(16)4/h6-9H,5H2,1-4H3,(H,19,20)
InChIKeyYVRGCVNLUPHFJW-UHFFFAOYSA-N
XLogP3.93
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-4-(4-methoxy-2-methylphenyl)pyridine-2-carboxylic acid
CID 154596910
2,6-diethylpyrimidine-4-carboxylic acid
CID 83816909
2-ethoxy-6-ethylpyrimidine-4-carboxylic acid
CID 66933435
2,6-diethyl-4-methylpyridine
CID 12595102
4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
2-(3,4-diethylphenyl)-1,3,5-trimethylbenzene
CID 91665788
2-chloro-5-(2,4,6-trimethylphenyl)benzoic acid
CID 54912541
4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate
CID 139149283
6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62202121
4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid
CID 102140939
4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane
CID 158929011
6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid
CID 121003146

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid (CID 162271803) is 6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid is CCc1cc(-c2c(C)cc(C)cc2C)cc(C(=O)O)n1.
What is the InChIKey of 6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid?
The InChIKey is YVRGCVNLUPHFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-5-14-8-13(9-15(18-14)17(19)20)16-11(3)6-10(2)7-12(16)4/h6-9H,5H2,1-4H3,(H,19,20).
What are the key properties of 6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid?
6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 162271803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).