CAS RN: 26820-65-5
N-Ethyl-3-Nitro-2-Pyridinamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260222 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS26820-65-5
- Purity/Analytical Methods: >99.0%
26820-65-5 / N-ethyl-3-nitropyridin-2-amine
Basic Information
CAS
26820-65-5
Multi CAS
No
Molecular Formula
C7H9N3O2
Molecular Weight
167.170000
Exact Mass
167.069477
SMILES
CCNC1=C(C=CC=N1)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O2/c1-2-8-7-6(10(11)12)4-3-5-9-7/h3-5H,2H2,1H3,(H,8,9)
InChIKey
DDBQQNCEHLMYGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.06
TPSA
68.06
LogP / Solubility
WLOGP
1.42
MLOGP
1.25
XLogP3
1.9
Consensus LogP
1.52
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-2.73
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
