CAS RN: 22353-52-2
5-Chloro-2-methoxy-3-nitropyridine
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.20251101 | 5g / 25g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS22353-52-2
- Purity/Analytical Methods: >99.0%
22353-52-2 / 5-chloro-2-methoxy-3-nitropyridine
Basic Information
CAS
22353-52-2
Multi CAS
No
Molecular Formula
C6H5ClN2O3
Molecular Weight
188.570000
Exact Mass
187.998870
SMILES
COC1=C(C=C(C=N1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H5ClN2O3/c1-12-6-5(9(10)11)2-4(7)3-8-6/h2-3H,1H3
InChIKey
HJHWUNVJRITHTQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
42.45
TPSA
65.26
LogP / Solubility
WLOGP
1.65
MLOGP
1.45
XLogP3
1.6
Consensus LogP
1.57
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately 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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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