CAS RN: 208110-83-2
2-Pyridinecarboxaldehyde, 6-(dimethylamino)- (9CI)
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.20251026 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS208110-83-2
- Purity/Analytical Methods: >99.0%
208110-83-2 / 6-(dimethylamino)pyridine-2-carbaldehyde
Basic Information
CAS
208110-83-2
Multi CAS
No
Molecular Formula
C8H10N2O
Molecular Weight
150.180000
Exact Mass
150.079313
SMILES
CN(C)C1=CC=CC(=N1)C=O
InChI
InChI=1S/C8H10N2O/c1-10(2)8-5-3-4-7(6-11)9-8/h3-6H,1-2H3
InChIKey
ZTVIIARHSJJRHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
43.95
TPSA
33.2
LogP / Solubility
WLOGP
0.96
MLOGP
0.84
XLogP3
1.1
Consensus LogP
0.97
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-2.95
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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