5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid

C15H15NO5 — CID 63851505

IUPAC5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid
SMILESCOc1ccc(OCCOc2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C15H15NO5/c1-19-12-2-4-13(5-3-12)20-6-7-21-14-8-11(15(17)18)9-16-10-14/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyPGDPYLKNUWEOEB-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.25
Rot. Bonds7

About 5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid

5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid (PubChem CID 63851505) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid
PubChem CID63851505
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid
SMILESCOc1ccc(OCCOc2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C15H15NO5/c1-19-12-2-4-13(5-3-12)20-6-7-21-14-8-11(15(17)18)9-16-10-14/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyPGDPYLKNUWEOEB-UHFFFAOYSA-N
XLogP2.25
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.25
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

5-butoxypyridine-3-carboxylic acid
CID 63851154
5-(4-methoxybutoxy)pyridine-3-carboxylic acid
CID 104646807
5-[3-(4-chlorophenoxy)propoxy]pyridine-3-carboxylic acid
CID 63852389
5-hexoxypyridine-3-carboxylic acid
CID 63850317
5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid
CID 4738593
5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
CID 63852197
5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid
CID 64553523
5-(5-hydroxypentoxy)pyridine-3-carboxylic acid
CID 63851859
5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid
CID 55256220
5-[4-(dimethylamino)-4-oxobutoxy]pyridine-3-carboxylic acid
CID 63852203
5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
CID 63851857
5-(4-methoxyanilino)pyridine-3-carboxylic acid
CID 82535078

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid (CID 63851505) is 5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid is COc1ccc(OCCOc2cncc(C(=O)O)c2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid?
The InChIKey is PGDPYLKNUWEOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-12-2-4-13(5-3-12)20-6-7-21-14-8-11(15(17)18)9-16-10-14/h2-5,8-10H,6-7H2,1H3,(H,17,18).
What are the key properties of 5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid?
5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63851505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).