CAS RN: 1393585-04-0
3-Amino-5-methoxypicolinic acid
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.20260515 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINA889029
1393585-04-0 / 3-amino-5-methoxypyridine-2-carboxylic acid
Basic Information
CAS
1393585-04-0
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
SMILES
COC1=CC(=C(N=C1)C(=O)O)N
InChI
InChI=1S/C7H8N2O3/c1-12-4-2-5(8)6(7(10)11)9-3-4/h2-3H,8H2,1H3,(H,10,11)
InChIKey
QYEALFALWSJVIW-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
4
H-bond donors
2
Molar refractivity
42.16
TPSA
85.44
LogP / Solubility
WLOGP
0.37
MLOGP
0.32
XLogP3
0.6
Consensus LogP
0.43
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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