CAS RN: 1289120-46-2
3-Pyridinecarboxaldehyde, 5-bromo-4-fluoro-
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.20251011 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1289120-46-2
- Purity/Analytical Methods: >99.0%
1289120-46-2 / 5-bromo-4-fluoropyridine-3-carbaldehyde
Basic Information
CAS
1289120-46-2
Multi CAS
No
Molecular Formula
C6H3BrFNO
Molecular Weight
204.000000
Exact Mass
202.938200
SMILES
C1=C(C(=C(C=N1)Br)F)C=O
InChI
InChI=1S/C6H3BrFNO/c7-5-2-9-1-4(3-10)6(5)8/h1-3H
InChIKey
NRVKUFPHGFGQNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.28
TPSA
29.96
LogP / Solubility
WLOGP
1.8
MLOGP
1.58
XLogP3
1.1
Consensus LogP
1.49
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately 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)
-2.69
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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