6-butoxy-3-hydroxypyridine-2-carboxylic acid

C10H13NO4 — CID 19960286

IUPAC6-butoxy-3-hydroxypyridine-2-carboxylic acid
SMILESCCCCOc1ccc(O)c(C(=O)O)n1
InChIInChI=1S/C10H13NO4/c1-2-3-6-15-8-5-4-7(12)9(11-8)10(13)14/h4-5,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyQFKAJEWGZWONRK-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.66
Rot. Bonds5

About 6-butoxy-3-hydroxypyridine-2-carboxylic acid

6-butoxy-3-hydroxypyridine-2-carboxylic acid (PubChem CID 19960286) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-butoxy-3-hydroxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-butoxy-3-hydroxypyridine-2-carboxylic acid
PubChem CID19960286
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name6-butoxy-3-hydroxypyridine-2-carboxylic acid
SMILESCCCCOc1ccc(O)c(C(=O)O)n1
InChIInChI=1S/C10H13NO4/c1-2-3-6-15-8-5-4-7(12)9(11-8)10(13)14/h4-5,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyQFKAJEWGZWONRK-UHFFFAOYSA-N
XLogP1.66
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 19960348
2,6-dibutoxypyridine
CID 67437244
3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid
CID 29286211
5-hexoxy-2-hydroxybenzoic acid
CID 19036724
5-hexadecoxy-2-hydroxybenzoic acid
CID 21495003
4,6-di(undecoxy)benzene-1,3-dicarboxylic acid
CID 101148089
3-heptoxy-6-methylpyridine-2-carboxylic acid
CID 79156653
3-hexoxy-6-methylpyridine-2-carboxylic acid
CID 79156664
4-butoxy-3-ethoxypyridine-2-carboxylic acid
CID 22923784
7-butoxy-3-hydroxynaphthalene-2-carboxylic acid
CID 20559604
6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid
CID 604825
2-butoxypyridine;carbonic acid
CID 159061563

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-3-hydroxypyridine-2-carboxylic acid?
The IUPAC name of 6-butoxy-3-hydroxypyridine-2-carboxylic acid (CID 19960286) is 6-butoxy-3-hydroxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-butoxy-3-hydroxypyridine-2-carboxylic acid?
The canonical SMILES for 6-butoxy-3-hydroxypyridine-2-carboxylic acid is CCCCOc1ccc(O)c(C(=O)O)n1.
What is the InChIKey of 6-butoxy-3-hydroxypyridine-2-carboxylic acid?
The InChIKey is QFKAJEWGZWONRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-2-3-6-15-8-5-4-7(12)9(11-8)10(13)14/h4-5,12H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 6-butoxy-3-hydroxypyridine-2-carboxylic acid?
6-butoxy-3-hydroxypyridine-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-3-hydroxypyridine-2-carboxylic acid is sourced from PubChem (CID 19960286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).