SCS-C007651
3-hydroxypyridine
Pathway: Alkaloids
Superclass: Nicotinic acid alkaloids
Class: Pyridine alkaloids
Chemical Structure
Loading 3D structure...
3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.
Source Information
Penicillium sp.
(soft coral-derived fungus)
Kingdom
Fungi
Phylum
Ascomycota
Class
Eurotiomycetes
Order
Eurotiales
Family
Aspergillaceae
Genus
Penicillium
Species
NA
South China Sea
DOI:
10.1002/cbdv.202401544
· Chemistry & Biodiversity
Drug-likeness (Lipinski Ro5)
Molecular Weight
95.1 Da
Threshold ≤ 500
ALogP
0.79
Threshold ≤ 5
H-Bond Donors
1
Threshold ≤ 5
H-Bond Acceptors
2
Threshold ≤ 10
Passes Lipinski Rule of Five — drug-like candidate
Chemical Properties
Molecular Formula:
C5H5NO
Molecular Weight:
95.1010 Da
SMILES:
Oc1cccnc1
InChIKey:
GRFNBEZIAWKNCO-UHFFFAOYSA-N
InChI:
InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H
Calculated Properties
ALogP:
0.787 lipophilicity
TPSA:
33.12 Ų polar surface area
H-Bond Donors:
1
H-Bond Acceptors:
2
Rotatable Bonds:
0
Ring Count:
1
(1 aromatic)
Chiral Centers:
0
Fsp³:
0.0000 fraction sp³ carbon
Database Information
Compound ID:
SCS-C007651
NPClassifier Pathway:
Alkaloids
NPClassifier Superclass:
Nicotinic acid alkaloids
NPClassifier Class:
Pyridine alkaloids
Glycoside:
No
NPClassifier Status:
Classified
External Links:
General chemistry
Natural product databases
Biological Activity Data
No bioactivity data available for this compound.