CAS RN: 106726-82-3
5-CYANO-3-PYRIDINECARBOXYLIC ACID METHYL ESTER
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.20260223 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-008271
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: 0.1g, 0.25g, 5g, 10g, 1g
- Available purity: >97%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 0.1g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 2 In Stock | Beijing | Inquiry |
| 5g | >97% | 2 In Stock | Beijing | Inquiry |
| 10g | >97% | 2 In Stock | Beijing | Inquiry |
| 1g | >97% | 1 In Stock | Hong Kong | Inquiry |
106726-82-3 / methyl 5-cyanopyridine-3-carboxylate
Methyl 5-cyanonicotinate | methyl 5-cyanopyridine-3-carboxylate | 5-Cyano-3-pyridinecarboxylic acid methyl ester
Basic Information
CAS
106726-82-3
Multi CAS
Yes
Molecular Formula
C8H6N2O2
Molecular Weight
162.150000
Exact Mass
162.042927
SMILES
COC(=O)C1=CN=CC(=C1)C#N
InChI
InChI=1S/C8H6N2O2/c1-12-8(11)7-2-6(3-9)4-10-5-7/h2,4-5H,1H3
InChIKey
RLUVYUFWNPLVPL-UHFFFAOYSA-N
Synonyms
Methyl 5-cyanonicotinate
methyl 5-cyanopyridine-3-carboxylate
5-Cyano-3-pyridinecarboxylic acid methyl ester
MFCD07367902
3-Pyridinecarboxylic acid, 5-cyano-, methyl ester
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
40.29
TPSA
62.98
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.4
Consensus LogP
0.6
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
