5-(4-methoxybutoxy)pyridine-3-carboxylic acid

C11H15NO4 — CID 104646807

IUPAC5-(4-methoxybutoxy)pyridine-3-carboxylic acid
SMILESCOCCCCOc1cncc(C(=O)O)c1
InChIInChI=1S/C11H15NO4/c1-15-4-2-3-5-16-10-6-9(11(13)14)7-12-8-10/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyXUFSQLRYDZLGTK-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.59
Rot. Bonds7

About 5-(4-methoxybutoxy)pyridine-3-carboxylic acid

5-(4-methoxybutoxy)pyridine-3-carboxylic acid (PubChem CID 104646807) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-(4-methoxybutoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxybutoxy)pyridine-3-carboxylic acid
PubChem CID104646807
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-(4-methoxybutoxy)pyridine-3-carboxylic acid
SMILESCOCCCCOc1cncc(C(=O)O)c1
InChIInChI=1S/C11H15NO4/c1-15-4-2-3-5-16-10-6-9(11(13)14)7-12-8-10/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyXUFSQLRYDZLGTK-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

5-hexoxypyridine-3-carboxylic acid
CID 63850317
5-butoxypyridine-3-carboxylic acid
CID 63851154
5-(5-hydroxypentoxy)pyridine-3-carboxylic acid
CID 63851859
5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid
CID 63851505
5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid
CID 4738593
5-[4-(dimethylamino)-4-oxobutoxy]pyridine-3-carboxylic acid
CID 63852203
5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid
CID 64553523
5-[3-(4-chlorophenoxy)propoxy]pyridine-3-carboxylic acid
CID 63852389
5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
CID 63851857
5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid
CID 55256220
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]pyridine-3-carboxylic acid
CID 167741543
5-[2-(diethylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 63851867

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxybutoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-methoxybutoxy)pyridine-3-carboxylic acid (CID 104646807) is 5-(4-methoxybutoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-methoxybutoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-methoxybutoxy)pyridine-3-carboxylic acid is COCCCCOc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(4-methoxybutoxy)pyridine-3-carboxylic acid?
The InChIKey is XUFSQLRYDZLGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-4-2-3-5-16-10-6-9(11(13)14)7-12-8-10/h6-8H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-(4-methoxybutoxy)pyridine-3-carboxylic acid?
5-(4-methoxybutoxy)pyridine-3-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 5-(4-methoxybutoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 104646807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).