![CAS 906214-79-7 2-[(pyridin-3-ylmethyl)amino]nicotinonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42132772.gif)
CAS RN: 906214-79-7
2-[(pyridin-3-ylmethyl)amino]nicotinonitrile
- Product code: SSC-203184
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
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
906214-79-7 / 2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile
Basic Information
CAS
906214-79-7
Multi CAS
No
Molecular Formula
C12H10N4
Molecular Weight
210.230000
Exact Mass
210.090546
InChI
InChI=1S/C12H10N4/c13-7-11-4-2-6-15-12(11)16-9-10-3-1-5-14-8-10/h1-6,8H,9H2,(H,15,16)
InChIKey
JKRJFBGOHOQISX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.52
TPSA
61.6
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
1.9
Consensus LogP
1.86
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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