![CAS 892414-50-5 1H-Pyrrolo[2,3-b]pyridine, 6-chloro-4-nitro-3-(trifluoroMethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/892414-50-5.gif)
CAS RN: 892414-50-5
1H-Pyrrolo[2,3-b]pyridine, 6-chloro-4-nitro-3-(trifluoroMethyl)-
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.20251230 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS892414-50-5
- Purity/Analytical Methods: >99.0%
892414-50-5 / 6-chloro-4-nitro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
892414-50-5
Multi CAS
No
Molecular Formula
C8H3CLF3N3O2
Molecular Weight
265.570000
Exact Mass
264.986589
InChI
InChI=1S/C8H3ClF3N3O2/c9-5-1-4(15(16)17)6-3(8(10,11)12)2-13-7(6)14-5/h1-2H,(H,13,14)
InChIKey
OZXNYYPMIUUHTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.76
TPSA
71.82
LogP / Solubility
WLOGP
3.14
MLOGP
2.77
XLogP3
3
Consensus LogP
2.97
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11
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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