![CAS 1092580-91-0 1H-pyrrolo[2,3-b]pyridine, 5-broMo-, 7-oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1092580-91-0.gif)
CAS RN: 1092580-91-0
1H-pyrrolo[2,3-b]pyridine, 5-broMo-, 7-oxide
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.20260101 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1092580-91-0
- Purity/Analytical Methods: >99.0%
1092580-91-0 / 5-bromo-7-hydroxypyrrolo[2,3-b]pyridine
5-Bromo-1H-pyrrolo[2,3-b]pyridine 7-oxide | 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-, 7-oxide | SCHEMBL2112281
Basic Information
CAS
1092580-91-0
Multi CAS
No
Molecular Formula
C7H5BrN2O
Molecular Weight
213.030000
Exact Mass
211.958530
SMILES
C1=CN=C2C1=CC(=CN2O)Br
InChI
InChI=1S/C7H5BrN2O/c8-6-3-5-1-2-9-7(5)10(11)4-6/h1-4,11H
InChIKey
UIPILSFCDYSBCT-UHFFFAOYSA-N
Synonyms
5-Bromo-1H-pyrrolo[2,3-b]pyridine 7-oxide
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-, 7-oxide
SCHEMBL2112281
SCHEMBL25428213
HDLSIKCINXNWPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.73
TPSA
38.05
LogP / Solubility
WLOGP
1.99
MLOGP
1.75
XLogP3
1.8
Consensus LogP
1.85
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.61
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
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