CAS RN: 13517-31-2
5-Iodopyridin-2-ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250415 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS13517-31-2
- Purity/Analytical Methods: >99.0%
13517-31-2 / 5-iodo-1H-pyridin-2-one
Basic Information
CAS
13517-31-2
Multi CAS
No
Molecular Formula
C5H4INO
Molecular Weight
221.000000
Exact Mass
220.933760
SMILES
C1=CC(=O)NC=C1I
InChI
InChI=1S/C5H4INO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChIKey
ZDJUNNCVIDKJAN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.78
TPSA
32.86
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
0.4
Consensus LogP
0.75
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (88.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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1,5-dihydro-4H-Pyrazolo[3,4-d]pyridazin-4-one
- CAS RN: 13521-25-0
- Product Code: starshine_CAS13521-25-0
- Purity/Analytical method: >99.0%
![CAS 13521-25-0 1,5-dihydro-4H-Pyrazolo[3,4-d]pyridazin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/13521-25-0.gif)