CAS RN: 1190311-16-0
5-BroMo-3-nitro-4-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.20251014 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1190311-16-0
- Purity/Analytical Methods: >99.0%
1190311-16-0 / 5-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine
5-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine | 1H-Pyrrolo[3,2-b]pyridine, 5-bromo-3-nitro- | 5-BROMO-3-NITRO-4-AZAINDOLE
Basic Information
CAS
1190311-16-0
Multi CAS
No
Molecular Formula
C7H4BrN3O2
Molecular Weight
242.030000
Exact Mass
240.948690
SMILES
C1=CC(=NC2=C1NC=C2[N+](=O)[O-])Br
InChI
InChI=1S/C7H4BrN3O2/c8-6-2-1-4-7(10-6)5(3-9-4)11(12)13/h1-3,9H
InChIKey
OCIVXCNQVWQXFR-UHFFFAOYSA-N
Synonyms
5-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine
1H-Pyrrolo[3,2-b]pyridine, 5-bromo-3-nitro-
5-BROMO-3-NITRO-4-AZAINDOLE
SCHEMBL23612096
SCHEMBL30166996
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.45
TPSA
71.82
LogP / Solubility
WLOGP
2.23
MLOGP
1.97
XLogP3
1.9
Consensus LogP
2.03
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-2.61
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
Customers Also Viewed
-
![CAS 1190311-44-4 6-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
6-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
- CAS RN: 1190311-44-4
- Product Code: SSC-019326
-
-
3-Chloro-5-Methyl-4-azaindole
- CAS RN: 1190312-07-2
- Product Code: starshine_CAS1190312-07-2
- Purity/Analytical method: >99.0%
-
3-Chloro-4-azaindole-5-carboxylic acid
- CAS RN: 1190312-13-0
- Product Code: starshine_CAS1190312-13-0
- Purity/Analytical method: >99.0%
-
6-Methoxy-7-azaindole-4-carboxylic acid Methyl ester
- CAS RN: 1190312-22-1
- Product Code: starshine_CAS1190312-22-1
- Purity/Analytical method: >99.0%
-
![CAS 1190311-44-4 6-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190311-44-4.gif)
