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

C13H19NO5 — CID 103401537

IUPAC6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid
SMILESCOCCOCCCOc1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C13H19NO5/c1-10-11(13(15)16)4-5-12(14-10)19-7-3-6-18-9-8-17-2/h4-5H,3,6-9H2,1-2H3,(H,15,16)
InChIKeyMTPOADRDFSHMTL-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.52
Rot. Bonds9

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

6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid (PubChem CID 103401537) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid
PubChem CID103401537
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid
SMILESCOCCOCCCOc1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C13H19NO5/c1-10-11(13(15)16)4-5-12(14-10)19-7-3-6-18-9-8-17-2/h4-5H,3,6-9H2,1-2H3,(H,15,16)
InChIKeyMTPOADRDFSHMTL-UHFFFAOYSA-N
XLogP1.52
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.52
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

6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpyridin-3-amine
CID 104559873
[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol
CID 103403961
5-iodo-2-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103408924
6-acetyloxy-2-methylpyridine-3-carboxylic acid
CID 154351291
3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzoic acid
CID 82827126
5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazole-4-carboxylic acid
CID 103407005
[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine
CID 103405839
2-amino-4-fluoro-5-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103403914
3-[2-(3-methoxypropoxy)ethoxy]-4-methylbenzoic acid
CID 103177358
6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid
CID 114125748
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 55107366
2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid
CID 106698537

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid (CID 103401537) is 6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid is COCCOCCCOc1ccc(C(=O)O)c(C)n1.
What is the InChIKey of 6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid?
The InChIKey is MTPOADRDFSHMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-10-11(13(15)16)4-5-12(14-10)19-7-3-6-18-9-8-17-2/h4-5H,3,6-9H2,1-2H3,(H,15,16).
What are the key properties of 6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid?
6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 103401537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).