![CAS 1369356-14-8 5-Bromo-1-methyl-1H-pyrrolo[2,3-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1369356-14-8.gif)
CAS RN: 1369356-14-8
5-Bromo-1-methyl-1H-pyrrolo[2,3-c]pyridine
- Product code: SSC-046343
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1369356-14-8 / 5-bromo-1-methylpyrrolo[2,3-c]pyridine
Basic Information
CAS
1369356-14-8
Multi CAS
No
Molecular Formula
C8H7BrN2
Molecular Weight
211.060000
Exact Mass
209.979260
SMILES
CN1C=CC2=CC(=NC=C21)Br
InChI
InChI=1S/C8H7BrN2/c1-11-3-2-6-4-8(9)10-5-7(6)11/h2-5H,1H3
InChIKey
RABYASJBXWKVAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
48.41
TPSA
17.82
LogP / Solubility
WLOGP
2.34
MLOGP
2.06
XLogP3
2
Consensus LogP
2.13
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-2.35
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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