CAS RN: 136888-79-4
Pyridine, 2-fluoro-5-methoxy- (9CI)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-046182
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, 5g, 10g, 0.1g, 0.25g, 25g
- Available purity: ≥98%
- 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 | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 0.1g | ≥98% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 1 In Stock | Shanghai | Inquiry |
136888-79-4 / 2-fluoro-5-methoxypyridine
Basic Information
CAS
136888-79-4
Multi CAS
No
Molecular Formula
C6H6FNO
Molecular Weight
127.120000
Exact Mass
127.043342
SMILES
COC1=CN=C(C=C1)F
InChI
InChI=1S/C6H6FNO/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKey
KSZQZUAJEWXGQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
30.75
TPSA
22.12
LogP / Solubility
WLOGP
1.23
MLOGP
1.07
XLogP3
1.3
Consensus LogP
1.2
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
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)
-2.62
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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