![CAS 1190321-59-5 1H-Pyrrolo[2,3-b]pyridine, 5-broMo-6-chloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190321-59-5.gif)
CAS RN: 1190321-59-5
1H-Pyrrolo[2,3-b]pyridine, 5-broMo-6-chloro-
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-019440
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1190321-59-5 / 5-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine
5-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine | DTXSID10696635 | 5-Bromo-6-chloro-1H-pyrrolo(2,3-b)pyridine
Basic Information
CAS
1190321-59-5
Multi CAS
No
Molecular Formula
C7H4BrClN2
Molecular Weight
231.480000
Exact Mass
229.924640
SMILES
C1=CNC2=NC(=C(C=C21)Br)Cl
InChI
InChI=1S/C7H4BrClN2/c8-5-3-4-1-2-10-7(4)11-6(5)9/h1-3H,(H,10,11)
InChIKey
GRDJQIJVCMSPFF-UHFFFAOYSA-N
Synonyms
5-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine
DTXSID10696635
5-Bromo-6-chloro-1H-pyrrolo(2,3-b)pyridine
RefChem:301940
DTXCID10647384
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.8
TPSA
28.68
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
3
Consensus LogP
2.87
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.02
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
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1190321-71-1 4-Bromo-5-methoxy-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190321-71-1.gif)
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