CAS RN: 14804-92-3
3-NITRO-4-(4′-PYRIDYL) PYRIDINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250205 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS14804-92-3
- Purity/Analytical Methods: >99.0%
14804-92-3 / 3-nitro-4-pyridin-4-ylpyridine
Basic Information
CAS
14804-92-3
Multi CAS
No
Molecular Formula
C10H7N3O2
Molecular Weight
201.180000
Exact Mass
201.053826
SMILES
C1=CN=CC=C1C2=C(C=NC=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O2/c14-13(15)10-7-12-6-3-9(10)8-1-4-11-5-2-8/h1-7H
InChIKey
ZUGIVRRLWFZKLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
54.12
TPSA
68.92
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
1.2
Consensus LogP
1.69
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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