CAS RN: 1289175-56-9
4-AMino-5-chloronicotinaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250329 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1289175-56-9
- Purity/Analytical Methods: >99.0%
1289175-56-9 / 4-amino-5-chloropyridine-3-carbaldehyde
Basic Information
CAS
1289175-56-9
Multi CAS
No
Molecular Formula
C6H5ClN2O
Molecular Weight
156.570000
Exact Mass
156.009041
SMILES
C1=C(C(=C(C=N1)Cl)N)C=O
InChI
InChI=1S/C6H5ClN2O/c7-5-2-9-1-4(3-10)6(5)8/h1-3H,(H2,8,9)
InChIKey
XPFJAJADROSJHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.05
TPSA
55.98
LogP / Solubility
WLOGP
1.13
MLOGP
0.99
XLogP3
0.8
Consensus LogP
0.97
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-2.87
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
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