CAS RN: 1011722-07-8
6-cyanopyridine-3-boronic acid
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260326 | 10g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20250821 | 1g | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20251212 | 250mg | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
| Batchno.20250711 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250516 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-002027
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g, 10g, 25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
1011722-07-8 / (6-cyano-3-pyridinyl)boronic acid
2-Cyanopyridine-5-boronic acid | RefChem:470763 | 812-008-9
Basic Information
CAS
1011722-07-8
Multi CAS
No
Molecular Formula
C6H5BN2O2
Molecular Weight
147.930000
Exact Mass
148.044408
SMILES
B(C1=CN=C(C=C1)C#N)(O)O
InChI
InChI=1S/C6H5BN2O2/c8-3-6-2-1-5(4-9-6)7(10)11/h1-2,4,10-11H
InChIKey
JRWBBVDYZMMZOH-UHFFFAOYSA-N
Synonyms
2-Cyanopyridine-5-boronic acid
RefChem:470763
812-008-9
(6-Cyanopyridin-3-yl)boronic acid
6-Cyanopyridine-3-boronic acid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.78
TPSA
77.14
LogP / Solubility
WLOGP
-1.37
MLOGP
-1.21
XLogP3
-1.37
Consensus LogP
-1.32
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
0.21
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.39
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.59
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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