3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid

C12H17NO6 — CID 106988326

IUPAC3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid
SMILESCOCCOCC(O)COc1cnccc1C(=O)O
InChIInChI=1S/C12H17NO6/c1-17-4-5-18-7-9(14)8-19-11-6-13-3-2-10(11)12(15)16/h2-3,6,9,14H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyDGRAYKGIFVTMRR-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.18
Rot. Bonds9

About 3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid

3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid (PubChem CID 106988326) has the molecular formula C12H17NO6 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid
PubChem CID106988326
Molecular FormulaC12H17NO6
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid
SMILESCOCCOCC(O)COc1cnccc1C(=O)O
InChIInChI=1S/C12H17NO6/c1-17-4-5-18-7-9(14)8-19-11-6-13-3-2-10(11)12(15)16/h2-3,6,9,14H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyDGRAYKGIFVTMRR-UHFFFAOYSA-N
XLogP0.18
TPSA98.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656
5-chloro-2-[2-hydroxy-3-(2-methoxyethoxy)propoxy]benzoic acid
CID 106988297
4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid
CID 102383084
3-(3-ethoxypropoxy)pyridine-4-carboxylic acid
CID 81446404
3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid
CID 81445637
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
2-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanylpyridine-3-carboxylic acid
CID 106988349
4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114244377
3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446238
1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 104560220

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid (CID 106988326) is 3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid is COCCOCC(O)COc1cnccc1C(=O)O.
What is the InChIKey of 3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid?
The InChIKey is DGRAYKGIFVTMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6/c1-17-4-5-18-7-9(14)8-19-11-6-13-3-2-10(11)12(15)16/h2-3,6,9,14H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid?
3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 0.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 106988326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).