CAS RN: 1018949-67-1
2-(3-Aminopyridin-2-yl)acetonitrile
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250711 | 100mg | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20250817 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250527 | 1g | Out of stock | Inquiry | ||
| Batchno.20251013 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250802 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS1018949-67-1
- Purity/Analytical Methods: >99.0%
1018949-67-1 / 2-(3-amino-2-pyridinyl)acetonitrile
2-(3-aminopyridin-2-yl)acetonitrile | MFCD16608699 | 3-Aminopyridin-2-acetonitrile
Basic Information
CAS
1018949-67-1
Multi CAS
No
Molecular Formula
C7H7N3
Molecular Weight
133.150000
Exact Mass
133.063997
SMILES
C1=CC(=C(N=C1)CC#N)N
InChI
InChI=1S/C7H7N3/c8-4-3-7-6(9)2-1-5-10-7/h1-2,5H,3,9H2
InChIKey
ZRFOJSSSVSGJIC-UHFFFAOYSA-N
Synonyms
2-(3-aminopyridin-2-yl)acetonitrile
MFCD16608699
3-Aminopyridin-2-acetonitrile
3-Amino-2-pyridineacetonitrile
SCHEMBL1551269
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.97
TPSA
62.7
LogP / Solubility
WLOGP
0.73
MLOGP
0.63
XLogP3
-0.1
Consensus LogP
0.42
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
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)
-3.01
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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