5-hexoxypyridine-3-carboxylic acid

C12H17NO3 — CID 63850317

IUPAC5-hexoxypyridine-3-carboxylic acid
SMILESCCCCCCOc1cncc(C(=O)O)c1
InChIInChI=1S/C12H17NO3/c1-2-3-4-5-6-16-11-7-10(12(14)15)8-13-9-11/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyFHGAAAQHBQQWOS-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.74
Rot. Bonds7

About 5-hexoxypyridine-3-carboxylic acid

5-hexoxypyridine-3-carboxylic acid (PubChem CID 63850317) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-hexoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hexoxypyridine-3-carboxylic acid
PubChem CID63850317
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-hexoxypyridine-3-carboxylic acid
SMILESCCCCCCOc1cncc(C(=O)O)c1
InChIInChI=1S/C12H17NO3/c1-2-3-4-5-6-16-11-7-10(12(14)15)8-13-9-11/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyFHGAAAQHBQQWOS-UHFFFAOYSA-N
XLogP2.74
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hexoxypyridine-3-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

5-butoxypyridine-3-carboxylic acid
CID 63851154
5-(4-methoxybutoxy)pyridine-3-carboxylic acid
CID 104646807
5-(5-hydroxypentoxy)pyridine-3-carboxylic acid
CID 63851859
5-nonoxybenzene-1,3-dicarboxylic acid
CID 101082617
5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid
CID 4738593
5-[4-(dimethylamino)-4-oxobutoxy]pyridine-3-carboxylic acid
CID 63852203
5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid
CID 63851505
5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid
CID 64553523
5-[3-(4-chlorophenoxy)propoxy]pyridine-3-carboxylic acid
CID 63852389
1-(5-ethoxy-3-pyridinyl)heptan-1-one
CID 115793819
5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
CID 63851857
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165

Frequently Asked Questions

What is the IUPAC name of 5-hexoxypyridine-3-carboxylic acid?
The IUPAC name of 5-hexoxypyridine-3-carboxylic acid (CID 63850317) is 5-hexoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-hexoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-hexoxypyridine-3-carboxylic acid is CCCCCCOc1cncc(C(=O)O)c1.
What is the InChIKey of 5-hexoxypyridine-3-carboxylic acid?
The InChIKey is FHGAAAQHBQQWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-3-4-5-6-16-11-7-10(12(14)15)8-13-9-11/h7-9H,2-6H2,1H3,(H,14,15).
What are the key properties of 5-hexoxypyridine-3-carboxylic acid?
5-hexoxypyridine-3-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxypyridine-3-carboxylic acid is sourced from PubChem (CID 63850317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).