CAS RN: 1610028-43-7
6-(AMinoMethyl)picolinic acid hydrochloride
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.20251027 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1610028-43-7
- Purity/Analytical Methods: >99.0%
1610028-43-7 / 6-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride
Basic Information
CAS
1610028-43-7
Multi CAS
No
Molecular Formula
C7H9ClN2O2
Molecular Weight
188.610000
Exact Mass
188.035255
SMILES
C1=CC(=NC(=C1)C(=O)O)CN.Cl
InChI
InChI=1S/C7H8N2O2.ClH/c8-4-5-2-1-3-6(9-5)7(10)11;/h1-3H,4,8H2,(H,10,11);1H
InChIKey
FODQIATUVBXDTE-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
2
Molar refractivity
46.34
TPSA
76.21
LogP / Solubility
WLOGP
0.66
MLOGP
0.58
XLogP3
0.66
Consensus LogP
0.63
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.4
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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