CAS RN: 1256914-07-4
5-Bromo-2-fluoro-3-pyridinecarbonyl chloride
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.20250710 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1256914-07-4
- Purity/Analytical Methods: >99.0%
1256914-07-4 / 5-bromo-2-fluoropyridine-3-carbonyl chloride
Basic Information
CAS
1256914-07-4
Multi CAS
No
Molecular Formula
C6H2BrClFNO
Molecular Weight
238.440000
Exact Mass
236.899230
SMILES
C1=C(C=NC(=C1C(=O)Cl)F)Br
InChI
InChI=1S/C6H2BrClFNO/c7-3-1-4(5(8)11)6(9)10-2-3/h1-2H
InChIKey
PGGDVNPCOYRXRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.08
TPSA
29.96
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2.5
Consensus LogP
2.31
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly 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)
-2.5
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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