4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid

C11H15NO4 — CID 81225924

IUPAC4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid
SMILESCOCCCOc1cc(C)ncc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-8-6-10(16-5-3-4-15-2)9(7-12-8)11(13)14/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyWFSBLNZTFAKKLT-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.50
Rot. Bonds6

About 4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid

4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid (PubChem CID 81225924) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid
PubChem CID81225924
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid
SMILESCOCCCOc1cc(C)ncc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-8-6-10(16-5-3-4-15-2)9(7-12-8)11(13)14/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyWFSBLNZTFAKKLT-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

4-ethoxy-6-methylpyridine-3-carboxylic acid
CID 81230098
4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244760
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
CID 81225395
4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid
CID 103487183
N-(3-methoxypropyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235727
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid
CID 103174497
4-(3-methoxypropoxy)-3-methylbenzoic acid
CID 62703570
4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
CID 91225203
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid (CID 81225924) is 4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid is COCCCOc1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid?
The InChIKey is WFSBLNZTFAKKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-8-6-10(16-5-3-4-15-2)9(7-12-8)11(13)14/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid?
4-(3-methoxypropoxy)-6-methylpyridine-3-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 4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81225924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).