CAS RN: 2089310-41-6
2-Amino-6-bromonicotinamide
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.20250919 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2089310-41-6
- Purity/Analytical Methods: >99.0%
2089310-41-6 / 2-amino-6-bromopyridine-3-carboxamide
Basic Information
CAS
2089310-41-6
Multi CAS
No
Molecular Formula
C6H6BrN3O
Molecular Weight
216.040000
Exact Mass
214.969420
SMILES
C1=CC(=NC(=C1C(=O)N)N)Br
InChI
InChI=1S/C6H6BrN3O/c7-4-2-1-3(6(9)11)5(8)10-4/h1-2H,(H2,8,10)(H2,9,11)
InChIKey
NPGBWWLBWAZIFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.87
TPSA
82
LogP / Solubility
WLOGP
0.53
MLOGP
0.46
XLogP3
1
Consensus LogP
0.66
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.66
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
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