3-(2-butoxyethoxy)pyridine-2-carboxylic acid

C12H17NO4 — CID 54958022

IUPAC3-(2-butoxyethoxy)pyridine-2-carboxylic acid
SMILESCCCCOCCOc1cccnc1C(=O)O
InChIInChI=1S/C12H17NO4/c1-2-3-7-16-8-9-17-10-5-4-6-13-11(10)12(14)15/h4-6H,2-3,7-9H2,1H3,(H,14,15)
InChIKeyZNRWXISPBURXDU-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.98
Rot. Bonds8

About 3-(2-butoxyethoxy)pyridine-2-carboxylic acid

3-(2-butoxyethoxy)pyridine-2-carboxylic acid (PubChem CID 54958022) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-butoxyethoxy)pyridine-2-carboxylic acid
PubChem CID54958022
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name3-(2-butoxyethoxy)pyridine-2-carboxylic acid
SMILESCCCCOCCOc1cccnc1C(=O)O
InChIInChI=1S/C12H17NO4/c1-2-3-7-16-8-9-17-10-5-4-6-13-11(10)12(14)15/h4-6H,2-3,7-9H2,1H3,(H,14,15)
InChIKeyZNRWXISPBURXDU-UHFFFAOYSA-N
XLogP1.98
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.98
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

3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid
CID 54956088
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
3-(4-carboxybutoxy)pyridine-2-carboxylic acid
CID 69472866
3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid
CID 140907193
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813
4-butoxy-3-ethoxypyridine-2-carboxylic acid
CID 22923784
3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid
CID 44820468
3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid
CID 61380364
3-butoxypyridine-2-carbaldehyde
CID 86631140

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2-butoxyethoxy)pyridine-2-carboxylic acid (CID 54958022) is 3-(2-butoxyethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2-butoxyethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2-butoxyethoxy)pyridine-2-carboxylic acid is CCCCOCCOc1cccnc1C(=O)O.
What is the InChIKey of 3-(2-butoxyethoxy)pyridine-2-carboxylic acid?
The InChIKey is ZNRWXISPBURXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-2-3-7-16-8-9-17-10-5-4-6-13-11(10)12(14)15/h4-6H,2-3,7-9H2,1H3,(H,14,15).
What are the key properties of 3-(2-butoxyethoxy)pyridine-2-carboxylic acid?
3-(2-butoxyethoxy)pyridine-2-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 54958022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).