CAS RN: 749875-07-8
2-BROMO-6-TRUFLUOROMETHYL-3-PYRIDINECARBOXYLIC 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.20260202 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS749875-07-8
- Purity/Analytical Methods: >99.0%
749875-07-8 / 2-bromo-6-(trifluoromethyl)pyridine-3-carboxylic acid
Basic Information
CAS
749875-07-8
Multi CAS
No
Molecular Formula
BC7H3NO2Rf3
Molecular Weight
270.000000
Exact Mass
268.929930
InChI
InChI=1S/C7H3BrF3NO2/c8-5-3(6(13)14)1-2-4(12-5)7(9,10)11/h1-2H,(H,13,14)
InChIKey
YLKWDJIZOAKOIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.9
TPSA
50.19
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
2.3
Consensus LogP
2.37
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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