6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid

C17H19NO3 — CID 122571574

IUPAC6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid
SMILESCOC(C)c1cccc(-c2cc(C)c(C(=O)O)c(C)n2)c1
InChIInChI=1S/C17H19NO3/c1-10-8-15(18-11(2)16(10)17(19)20)14-7-5-6-13(9-14)12(3)21-4/h5-9,12H,1-4H3,(H,19,20)
InChIKeyOFZOBGBLPAJJDX-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.77
Rot. Bonds4

About 6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid

6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid (PubChem CID 122571574) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid
PubChem CID122571574
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid
SMILESCOC(C)c1cccc(-c2cc(C)c(C(=O)O)c(C)n2)c1
InChIInChI=1S/C17H19NO3/c1-10-8-15(18-11(2)16(10)17(19)20)14-7-5-6-13(9-14)12(3)21-4/h5-9,12H,1-4H3,(H,19,20)
InChIKeyOFZOBGBLPAJJDX-UHFFFAOYSA-N
XLogP3.77
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-methoxyethyl)phenyl]-6-methylpyrimidine-4-carboxylic acid
CID 122556535
2-[3-[(1R)-1-methoxyethyl]phenyl]-6-methylpyrimidine-4-carboxylic acid
CID 125435471
6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid
CID 163318387
4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole
CID 126448059
3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine
CID 126446276
6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 11983110
4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 74235800
5-[3-[(1S)-1-methoxyethyl]phenyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 137086671
6-methoxy-2,4-dimethylpyridine-3-carboxylic acid
CID 3446565
3-[3-(1-methoxyethyl)phenyl]-5-(propan-2-ylsulfamoyl)benzoic acid
CID 56864067
6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 125436191
6-[3-[(1R)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 125436192

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid (CID 122571574) is 6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid is COC(C)c1cccc(-c2cc(C)c(C(=O)O)c(C)n2)c1.
What is the InChIKey of 6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid?
The InChIKey is OFZOBGBLPAJJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-10-8-15(18-11(2)16(10)17(19)20)14-7-5-6-13(9-14)12(3)21-4/h5-9,12H,1-4H3,(H,19,20).
What are the key properties of 6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid?
6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 122571574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).