CAS RN: 1256822-25-9
3-fluoro-5-methylpicolinaldehyde
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.20251013 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1256822-25-9
- Purity/Analytical Methods: >99.0%
1256822-25-9 / 3-fluoro-5-methylpyridine-2-carbaldehyde
Basic Information
CAS
1256822-25-9
Multi CAS
No
Molecular Formula
C7H6FNO
Molecular Weight
139.130000
Exact Mass
139.043342
SMILES
CC1=CC(=C(N=C1)C=O)F
InChI
InChI=1S/C7H6FNO/c1-5-2-6(8)7(4-10)9-3-5/h2-4H,1H3
InChIKey
VYEHORMIEVYVPA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.32
TPSA
29.96
LogP / Solubility
WLOGP
1.34
MLOGP
1.17
XLogP3
1.1
Consensus LogP
1.2
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501
Customers Also Viewed
-
![CAS 1256822-80-6 3-Bromo-5-fluoro-1H-pyrazolo[3,4-b]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-Bromo-5-fluoro-1H-pyrazolo[3,4-b]pyridine
- CAS RN: 1256822-80-6
- Product Code: SSC-030824
-
-
-
-
-
![CAS 1256822-80-6 3-Bromo-5-fluoro-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256822-80-6.gif)
