CAS RN: 2225169-14-0
2-Methyl-5-(trifluoromethyl)pyridine-3-boronic acid
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.20250402 | 5mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2225169-14-0
- Purity/Analytical Methods: >99.0%
2225169-14-0 / [2-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid
Basic Information
CAS
2225169-14-0
Multi CAS
No
Molecular Formula
C7H7BF3NO2
Molecular Weight
204.940000
Exact Mass
205.052193
SMILES
B(C1=CC(=CN=C1C)C(F)(F)F)(O)O
InChI
InChI=1S/C7H7BF3NO2/c1-4-6(8(13)14)2-5(3-12-4)7(9,10)11/h2-3,13-14H,1H3
InChIKey
HJILMIUARIVXKS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.8
TPSA
53.35
LogP / Solubility
WLOGP
0.09
MLOGP
0.08
XLogP3
0.09
Consensus LogP
0.09
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.91
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
Customers Also Viewed
-
5-Cyclopropyl-2-methylphenylboronic acid
- CAS RN: 2225169-28-6
- Product Code: starshine_CAS2225169-28-6
- Purity/Analytical method: >99.0%
-
[2-(METHOXYCARBONYL)-6-METHYLPYRIDIN-4-YL]BORONIC ACID
- CAS RN: 2225170-39-6
- Product Code: starshine_CAS2225170-39-6
- Purity/Analytical method: >99.0%
-
[2-(METHOXYCARBONYL)-6-CHLOROPYRIDIN-4-YL]BORONIC ACID
- CAS RN: 2225170-53-4
- Product Code: starshine_CAS2225170-53-4
- Purity/Analytical method: >99.0%
-
2-Methoxy-4-(4-methylpiperazin-1-yl)phenylboronic acid
- CAS RN: 2225170-62-5
- Product Code: SSC-107187
-
1-(4-Trifluoromethylphenyl)-1H-pyrazole-4-boronic acid
- CAS RN: 2225170-71-6
- Product Code: SSC-107188
-
4-Bromo-3-(methoxymethyl)phenylboronic acid
- CAS RN: 2225173-34-0
- Product Code: starshine_CAS2225173-34-0
- Purity/Analytical method: >99.0%
![CAS 2225170-39-6 [2-(METHOXYCARBONYL)-6-METHYLPYRIDIN-4-YL]BORONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2225170-39-6.gif)
![CAS 2225170-53-4 [2-(METHOXYCARBONYL)-6-CHLOROPYRIDIN-4-YL]BORONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2225170-53-4.gif)
