![CAS 1228665-91-5 4-Chloro-5-fluoro-6-iodo-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228665-91-5.gif)
CAS RN: 1228665-91-5
4-Chloro-5-fluoro-6-iodo-1H-pyrrolo[2,3-b]pyridine
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.20260417 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1228665-91-5
- Purity/Analytical Methods: >99.0%
1228665-91-5 / 4-chloro-5-fluoro-6-iodo-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
1228665-91-5
Multi CAS
No
Molecular Formula
C7H3ClFIN2
Molecular Weight
296.470000
Exact Mass
295.901350
SMILES
C1=CNC2=NC(=C(C(=C21)Cl)F)I
InChI
InChI=1S/C7H3ClFIN2/c8-4-3-1-2-11-7(3)12-6(10)5(4)9/h1-2H,(H,11,12)
InChIKey
RJMPUPGWZJBCAY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.78
TPSA
28.68
LogP / Solubility
WLOGP
2.96
MLOGP
2.62
XLogP3
2.7
Consensus LogP
2.76
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly 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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
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