CAS RN: 1706454-74-1
4-Amino-5-chloronicotinonitrile
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251211 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1706454-74-1
- Purity/Analytical Methods: >99.0%
1706454-74-1 / 4-amino-5-chloropyridine-3-carbonitrile
Basic Information
CAS
1706454-74-1
Multi CAS
No
Molecular Formula
C6H4ClN3
Molecular Weight
153.570000
Exact Mass
153.009375
SMILES
C1=C(C(=C(C=N1)Cl)N)C#N
InChI
InChI=1S/C6H4ClN3/c7-5-3-10-2-4(1-8)6(5)9/h2-3H,(H2,9,10)
InChIKey
IETAIDPTMBIJIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.37
TPSA
62.7
LogP / Solubility
WLOGP
1.19
MLOGP
1.04
XLogP3
1.1
Consensus LogP
1.11
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-2.81
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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