6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid

C15H15NO3 — CID 28933532

IUPAC6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C)c(Oc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C15H15NO3/c1-9-6-10(2)11(3)13(7-9)19-14-5-4-12(8-16-14)15(17)18/h4-8H,1-3H3,(H,17,18)
InChIKeyOMYCXFZEQLVBFC-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.50
Rot. Bonds3

About 6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid

6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid (PubChem CID 28933532) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid
PubChem CID28933532
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C)c(Oc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C15H15NO3/c1-9-6-10(2)11(3)13(7-9)19-14-5-4-12(8-16-14)15(17)18/h4-8H,1-3H3,(H,17,18)
InChIKeyOMYCXFZEQLVBFC-UHFFFAOYSA-N
XLogP3.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide
CID 28933737
6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid
CID 62098338
5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine
CID 107087446
6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
CID 65454117
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 43351972
4-[(2,3,5-trimethylphenoxy)methyl]benzoic acid
CID 7017419
6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 125498323
4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672839
6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 43589848
6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
CID 81342027
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 114416376
3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid
CID 55107953

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid (CID 28933532) is 6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid is Cc1cc(C)c(C)c(Oc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is OMYCXFZEQLVBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-6-10(2)11(3)13(7-9)19-14-5-4-12(8-16-14)15(17)18/h4-8H,1-3H3,(H,17,18).
What are the key properties of 6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid?
6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 28933532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).