CAS RN: 1807008-77-0
6-bromo-3-fluoro-2-iodopyridine
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.20250319 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1807008-77-0
- Purity/Analytical Methods: >99.0%
1807008-77-0 / 6-bromo-3-fluoro-2-iodopyridine
Basic Information
CAS
1807008-77-0
Multi CAS
No
Molecular Formula
C5H2BrFIN
Molecular Weight
301.880000
Exact Mass
300.839940
SMILES
C1=CC(=NC(=C1F)I)Br
InChI
InChI=1S/C5H2BrFIN/c6-4-2-1-3(7)5(8)9-4/h1-2H
InChIKey
HLFVDGPBZNIAAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
44.61
TPSA
12.89
LogP / Solubility
WLOGP
2.59
MLOGP
2.29
XLogP3
2.7
Consensus LogP
2.53
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-2.72
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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