CAS RN: 97310-93-5
2-Pyridinecarboxylicacid,6-(aminocarbonyl)-(9CI)
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: SSC-212256
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: 0.25g
- Available purity: ≥95%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
97310-93-5 / 6-carbamoylpyridine-2-carboxylic acid
Basic Information
CAS
97310-93-5
Multi CAS
No
Molecular Formula
C7H6N2O3
Molecular Weight
166.130000
Exact Mass
166.037842
InChI
InChI=1S/C7H6N2O3/c8-6(10)4-2-1-3-5(9-4)7(11)12/h1-3H,(H2,8,10)(H,11,12)
InChIKey
MUTVEWJASOPKGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.71
TPSA
93.28
LogP / Solubility
WLOGP
-0.12
MLOGP
-0.11
XLogP3
-0.1
Consensus LogP
-0.11
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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