CAS RN: 1190322-60-1
5-Cyano-3-nitro-7-azaindole
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.20250223 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1190322-60-1
- Purity/Analytical Methods: >99.0%
1190322-60-1 / 3-nitro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
3-nitro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile | 5-CYANO-3-NITRO-7-AZAINDOLE | 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-nitro-
Basic Information
CAS
1190322-60-1
Multi CAS
No
Molecular Formula
C8H4N4O2
Molecular Weight
188.140000
Exact Mass
188.033425
SMILES
C1=C(C=NC2=C1C(=CN2)[N+](=O)[O-])C#N
InChI
InChI=1S/C8H4N4O2/c9-2-5-1-6-7(12(13)14)4-11-8(6)10-3-5/h1,3-4H,(H,10,11)
InChIKey
SZBJRFGDPRDISY-UHFFFAOYSA-N
Synonyms
3-nitro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
5-CYANO-3-NITRO-7-AZAINDOLE
1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-nitro-
SCHEMBL22050731
MFCD12962900
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.46
TPSA
95.61
LogP / Solubility
WLOGP
1.34
MLOGP
1.18
XLogP3
0.9
Consensus LogP
1.14
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
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
![CAS 1190322-78-1 6-Chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190322-78-1.gif)
