CAS RN: 879088-40-1
2-(2-chloro-5-nitrophenyl)pyridine
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260216 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20251127 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260216 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250906 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250724 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260224 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS879088-40-1
- Purity/Analytical Methods: >99.0%
879088-40-1 / 2-(2-chloro-5-nitrophenyl)pyridine
Basic Information
CAS
879088-40-1
Multi CAS
No
Molecular Formula
C11H7CLN2O2
Molecular Weight
234.640000
Exact Mass
234.019605
InChI
InChI=1S/C11H7ClN2O2/c12-10-5-4-8(14(15)16)7-9(10)11-3-1-2-6-13-11/h1-7H
InChIKey
AKVCBZWZBMTKMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.34
TPSA
56.03
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
3
Consensus LogP
3.08
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
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)
-1.8
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
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