3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid

C12H17NO5 — CID 79157238

IUPAC3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid
SMILESCOCCOCCOc1ccc(C)nc1C(=O)O
InChIInChI=1S/C12H17NO5/c1-9-3-4-10(11(13-9)12(14)15)18-8-7-17-6-5-16-2/h3-4H,5-8H2,1-2H3,(H,14,15)
InChIKeyUZARATBKJXUEOG-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.13
Rot. Bonds8

About 3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid

3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid (PubChem CID 79157238) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid
PubChem CID79157238
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid
SMILESCOCCOCCOc1ccc(C)nc1C(=O)O
InChIInChI=1S/C12H17NO5/c1-9-3-4-10(11(13-9)12(14)15)18-8-7-17-6-5-16-2/h3-4H,5-8H2,1-2H3,(H,14,15)
InChIKeyUZARATBKJXUEOG-UHFFFAOYSA-N
XLogP1.13
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid
CID 112589611
6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid
CID 79157623
3-heptoxy-6-methylpyridine-2-carboxylic acid
CID 79156653
3-hexoxy-6-methylpyridine-2-carboxylic acid
CID 79156664
6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid
CID 102939706
3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid
CID 79157043
6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid
CID 79158533
2-iodo-3-(2-methoxyethoxy)-6-methylpyridine
CID 165369092
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid
CID 79156299
6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79156655
3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid
CID 79156646

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid (CID 79157238) is 3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid is COCCOCCOc1ccc(C)nc1C(=O)O.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid?
The InChIKey is UZARATBKJXUEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-9-3-4-10(11(13-9)12(14)15)18-8-7-17-6-5-16-2/h3-4H,5-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid?
3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 79157238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).