3-(4-methoxybutoxy)pyridine-4-carboxylic acid

C11H15NO4 — CID 104646814

IUPAC3-(4-methoxybutoxy)pyridine-4-carboxylic acid
SMILESCOCCCCOc1cnccc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-15-6-2-3-7-16-10-8-12-5-4-9(10)11(13)14/h4-5,8H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyOZMUBHIQRGIDLU-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.59
Rot. Bonds7

About 3-(4-methoxybutoxy)pyridine-4-carboxylic acid

3-(4-methoxybutoxy)pyridine-4-carboxylic acid (PubChem CID 104646814) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-(4-methoxybutoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxybutoxy)pyridine-4-carboxylic acid
PubChem CID104646814
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-(4-methoxybutoxy)pyridine-4-carboxylic acid
SMILESCOCCCCOc1cnccc1C(=O)O
InChIInChI=1S/C11H15NO4/c1-15-6-2-3-7-16-10-8-12-5-4-9(10)11(13)14/h4-5,8H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyOZMUBHIQRGIDLU-UHFFFAOYSA-N
XLogP1.59
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.59
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-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
3-(3-ethoxypropoxy)pyridine-4-carboxylic acid
CID 81446404
4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid
CID 114244376
3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid
CID 106988326
4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid
CID 102383084
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
3-(3-cyano-3-methylbutoxy)pyridine-4-carboxylic acid
CID 81446577
4-octoxypyridine-3-carboxylic acid
CID 81226157
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656
3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114288657
3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid
CID 81445637
4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid
CID 81225280

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-methoxybutoxy)pyridine-4-carboxylic acid (CID 104646814) is 3-(4-methoxybutoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-methoxybutoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-methoxybutoxy)pyridine-4-carboxylic acid is COCCCCOc1cnccc1C(=O)O.
What is the InChIKey of 3-(4-methoxybutoxy)pyridine-4-carboxylic acid?
The InChIKey is OZMUBHIQRGIDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-6-2-3-7-16-10-8-12-5-4-9(10)11(13)14/h4-5,8H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 3-(4-methoxybutoxy)pyridine-4-carboxylic acid?
3-(4-methoxybutoxy)pyridine-4-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 104646814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).