3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid

C13H19NO4 — CID 54956088

IUPAC3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid
SMILESCC(C)CCOCCOc1cccnc1C(=O)O
InChIInChI=1S/C13H19NO4/c1-10(2)5-7-17-8-9-18-11-4-3-6-14-12(11)13(15)16/h3-4,6,10H,5,7-9H2,1-2H3,(H,15,16)
InChIKeyWAWXLWYJIQFGPP-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.22
Rot. Bonds8

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

3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid (PubChem CID 54956088) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid
PubChem CID54956088
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid
SMILESCC(C)CCOCCOc1cccnc1C(=O)O
InChIInChI=1S/C13H19NO4/c1-10(2)5-7-17-8-9-18-11-4-3-6-14-12(11)13(15)16/h3-4,6,10H,5,7-9H2,1-2H3,(H,15,16)
InChIKeyWAWXLWYJIQFGPP-UHFFFAOYSA-N
XLogP2.22
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-butoxyethoxy)pyridine-2-carboxylic acid
CID 54958022
2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 43532277
3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid
CID 140907193
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
3-(4-carboxybutoxy)pyridine-2-carboxylic acid
CID 69472866
3-(4-methylpentoxymethyl)pyridine-2-carboxylic acid
CID 55179936
3-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 61483895
5-bromo-2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 61484672
3-ethoxy-2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 61484674
3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid
CID 61380364
3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]pyridine-2-carboxylic acid
CID 106988306
3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid
CID 82897733

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid (CID 54956088) is 3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid is CC(C)CCOCCOc1cccnc1C(=O)O.
What is the InChIKey of 3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid?
The InChIKey is WAWXLWYJIQFGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-10(2)5-7-17-8-9-18-11-4-3-6-14-12(11)13(15)16/h3-4,6,10H,5,7-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid?
3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 54956088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).