CAS RN: 1214383-87-5
3-Bromo-6-hydroxy-2-(trifluoromethyl)pyridine
- Product code: SSC-023873
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 3 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 2 In Stock | Hong Kong | Inquiry |
1214383-87-5 / 5-bromo-6-(trifluoromethyl)-1H-pyridin-2-one
Basic Information
CAS
1214383-87-5
Multi CAS
No
Molecular Formula
C6H3BrF3NO
Molecular Weight
241.990000
Exact Mass
240.935010
SMILES
C1=CC(=O)NC(=C1Br)C(F)(F)F
InChI
InChI=1S/C6H3BrF3NO/c7-3-1-2-4(12)11-5(3)6(8,9)10/h1-2H,(H,11,12)
InChIKey
KJFWXIMKNYWQDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.76
TPSA
32.86
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
1.5
Consensus LogP
1.85
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
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)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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