3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid

C10H13NO5 — CID 19960346

IUPAC3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid
SMILESCOCCCOc1ccnc(C(=O)O)c1O
InChIInChI=1S/C10H13NO5/c1-15-5-2-6-16-7-3-4-11-8(9(7)12)10(13)14/h3-4,12H,2,5-6H2,1H3,(H,13,14)
InChIKeyZISAGZWJOLNYRQ-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.90
Rot. Bonds6

About 3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid

3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid (PubChem CID 19960346) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid
PubChem CID19960346
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid
SMILESCOCCCOc1ccnc(C(=O)O)c1O
InChIInChI=1S/C10H13NO5/c1-15-5-2-6-16-7-3-4-11-8(9(7)12)10(13)14/h3-4,12H,2,5-6H2,1H3,(H,13,14)
InChIKeyZISAGZWJOLNYRQ-UHFFFAOYSA-N
XLogP0.90
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-hydroxy-4-(3-methoxypropoxy)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-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 19960297
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
4-[(4-fluorophenyl)methoxy]-3-hydroxypyridine-2-carboxylic acid
CID 19960336
4-butoxy-3-ethoxypyridine-2-carboxylic acid
CID 22923784
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380362
4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde
CID 10081815
3-cyano-4-methoxypyridine-2-carboxylic acid
CID 130966526
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid
CID 55179540
N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088900
4-(4-methoxybutoxy)-1-phenylpyrazole-3-carboxylic acid
CID 104646795
2-chloro-4-(3-methoxypropoxy)-3-methylpyridine
CID 141469218

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid (CID 19960346) is 3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid is COCCCOc1ccnc(C(=O)O)c1O.
What is the InChIKey of 3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid?
The InChIKey is ZISAGZWJOLNYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-15-5-2-6-16-7-3-4-11-8(9(7)12)10(13)14/h3-4,12H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid?
3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 19960346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).