CAS RN: 65550-80-3
2-broMo-5-iodonicotinic 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.20260416 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS65550-80-3
- Purity/Analytical Methods: >99.0%
65550-80-3 / 2-bromo-5-iodopyridine-3-carboxylic acid
Basic Information
CAS
65550-80-3
Multi CAS
No
Molecular Formula
C6H3BRINO2
Molecular Weight
327.900000
Exact Mass
326.839190
InChI
InChI=1S/C6H3BrINO2/c7-5-4(6(10)11)1-3(8)2-9-5/h1-2H,(H,10,11)
InChIKey
QLWYFTRYOMPMRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.61
TPSA
50.19
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
2.1
Consensus LogP
2.05
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
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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