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

C11H15NO5 — CID 102383084

IUPAC4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid
SMILESCOCCOCCOc1ccncc1C(=O)O
InChIInChI=1S/C11H15NO5/c1-15-4-5-16-6-7-17-10-2-3-12-8-9(10)11(13)14/h2-3,8H,4-7H2,1H3,(H,13,14)
InChIKeyJTTWKOVMQGHOAE-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.82
Rot. Bonds8

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

4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid (PubChem CID 102383084) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid
PubChem CID102383084
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid
SMILESCOCCOCCOc1ccncc1C(=O)O
InChIInChI=1S/C11H15NO5/c1-15-4-5-16-6-7-17-10-2-3-12-8-9(10)11(13)14/h2-3,8H,4-7H2,1H3,(H,13,14)
InChIKeyJTTWKOVMQGHOAE-UHFFFAOYSA-N
XLogP0.82
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid
CID 81225280
4-octoxypyridine-3-carboxylic acid
CID 81226157
4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114244377
4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81243550
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
4-[2-(2-methoxyethoxy)ethoxy]pyridin-3-amine
CID 104559949
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid
CID 106988326
3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzoic acid
CID 82827126
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564090
2-[2-(2-methoxyethoxy)ethoxy]-5-(trifluoromethyl)benzoic acid
CID 104560463

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid (CID 102383084) is 4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid is COCCOCCOc1ccncc1C(=O)O.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid?
The InChIKey is JTTWKOVMQGHOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-15-4-5-16-6-7-17-10-2-3-12-8-9(10)11(13)14/h2-3,8H,4-7H2,1H3,(H,13,14).
What are the key properties of 4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid?
4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 102383084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).