CAS RN: 1227562-02-8
3-Pyridinecarboxaldehyde, 2-bromo-5-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.20260413 | 100mg / 250mg | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS1227562-02-8
- Purity/Analytical Methods: >99.0%
1227562-02-8 / 2-bromo-5-fluoropyridine-3-carbaldehyde
Basic Information
CAS
1227562-02-8
Multi CAS
No
Molecular Formula
C6H3BrFNO
Molecular Weight
204.000000
Exact Mass
202.938200
SMILES
C1=C(C=NC(=C1C=O)Br)F
InChI
InChI=1S/C6H3BrFNO/c7-6-4(3-10)1-5(8)2-9-6/h1-3H
InChIKey
SRLHILIBOUSBPT-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
1.4
Consensus LogP
1.59
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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