3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid

C11H15NO4 — CID 79158863

IUPAC3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
SMILESCOCCCOc1ccc(C)nc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-8-4-5-9(10(12-8)11(13)14)16-7-3-6-15-2/h4-5H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyNEVJMTSMTXXZIV-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.50
Rot. Bonds6

About 3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid

3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid (PubChem CID 79158863) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
PubChem CID79158863
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
SMILESCOCCCOc1ccc(C)nc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-8-4-5-9(10(12-8)11(13)14)16-7-3-6-15-2/h4-5H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyNEVJMTSMTXXZIV-UHFFFAOYSA-N
XLogP1.50
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid
CID 79157238
3-heptoxy-6-methylpyridine-2-carboxylic acid
CID 79156653
3-hexoxy-6-methylpyridine-2-carboxylic acid
CID 79156664
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-(3-methoxypropoxy)-6-methyl-2-pyridinyl]methanol
CID 79157840
3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid
CID 79157043
6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid
CID 79158533
3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid
CID 19960346
6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid
CID 102939706
6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79156655
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid
CID 79156299

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid (CID 79158863) is 3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid is COCCCOc1ccc(C)nc1C(=O)O.
What is the InChIKey of 3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid?
The InChIKey is NEVJMTSMTXXZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-8-4-5-9(10(12-8)11(13)14)16-7-3-6-15-2/h4-5H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid?
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 79158863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).