CAS RN: 1956366-51-0
6-Iodo-5-Methoxynicotinic Acid(WXC03747)
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.20250607 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1956366-51-0
- Purity/Analytical Methods: >99.0%
1956366-51-0 / 6-iodo-5-methoxypyridine-3-carboxylic acid
Basic Information
CAS
1956366-51-0
Multi CAS
No
Molecular Formula
C7H6INO3
Molecular Weight
279.030000
Exact Mass
278.939240
SMILES
COC1=C(N=CC(=C1)C(=O)O)I
InChI
InChI=1S/C7H6INO3/c1-12-5-2-4(7(10)11)3-9-6(5)8/h2-3H,1H3,(H,10,11)
InChIKey
LGTRHYSEFXUPHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.47
TPSA
59.42
LogP / Solubility
WLOGP
1.39
MLOGP
1.24
XLogP3
1
Consensus LogP
1.21
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 1956369-03-1 2-(5-OXO-6-OXA-4-AZASPIRO[2.4]HEPTAN-4-YL)ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB93992141(1).gif)
