6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde

C10H13NO4 — CID 171872080

IUPAC6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(O)C(O)CCO)nc1
InChIInChI=1S/C10H13NO4/c12-4-3-9(14)10(15)8-2-1-7(6-13)5-11-8/h1-2,5-6,9-10,12,14-15H,3-4H2
InChIKeyQYRAUAYHWKRSBB-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.33
Rot. Bonds5

About 6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde

6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde (PubChem CID 171872080) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde
PubChem CID171872080
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(O)C(O)CCO)nc1
InChIInChI=1S/C10H13NO4/c12-4-3-9(14)10(15)8-2-1-7(6-13)5-11-8/h1-2,5-6,9-10,12,14-15H,3-4H2
InChIKeyQYRAUAYHWKRSBB-UHFFFAOYSA-N
XLogP-0.33
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde 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-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823749
3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one
CID 171871760
1-(6-aminopyridazin-3-yl)butane-1,2,4-triol
CID 171871817
1-pyrimidin-2-ylbutane-1,2,4-triol
CID 171871708
1-(5-nitro-2-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171874083
1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol
CID 171872100
1-pyrimidin-5-ylbutane-1,2,4-triol
CID 171871701
5-(1,2,4-trihydroxybutyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 171873061
ethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide
CID 162722759
1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889689
1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
CID 171878923
methyl 6-(4-chloro-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171894263

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde (CID 171872080) is 6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde is O=Cc1ccc(C(O)C(O)CCO)nc1.
What is the InChIKey of 6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde?
The InChIKey is QYRAUAYHWKRSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-4-3-9(14)10(15)8-2-1-7(6-13)5-11-8/h1-2,5-6,9-10,12,14-15H,3-4H2.
What are the key properties of 6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde?
6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde has a molecular weight of 211.22 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 171872080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).