![CAS 1020056-77-2 5-CHLORO-4-IODO-1H-PYRROLO[2,3-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1020056-77-2.gif)
CAS RN: 1020056-77-2
5-CHLORO-4-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.20250621 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1020056-77-2
- Purity/Analytical Methods: >99.0%
1020056-77-2 / 5-chloro-4-iodo-1H-pyrrolo[2,3-b]pyridine
5-CHLORO-4-IODO-1H-PYRROLO[2,3-B]PYRIDINE | 5-Chloro-4-iodo-1H-pyrrolo(2,3-b)pyridine | DTXSID70649809
Basic Information
CAS
1020056-77-2
Multi CAS
Yes
Molecular Formula
C7H4ClIN2
Molecular Weight
278.480000
Exact Mass
277.910770
SMILES
C1=CNC2=NC=C(C(=C21)I)Cl
InChI
InChI=1S/C7H4ClIN2/c8-5-3-11-7-4(6(5)9)1-2-10-7/h1-3H,(H,10,11)
InChIKey
NJGCYVPPTNYVKA-UHFFFAOYSA-N
Synonyms
5-CHLORO-4-IODO-1H-PYRROLO[2,3-B]PYRIDINE
5-Chloro-4-iodo-1H-pyrrolo(2,3-b)pyridine
DTXSID70649809
RefChem:534790
DTXCID50600559
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.82
TPSA
28.68
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.6
Consensus LogP
2.64
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.42
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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
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![CAS 1020172-07-9 N-[3-tert-Butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]-N’-[2-fluoro-4-[(2-(methylcarbamoyl)pyridin-4-yl)oxy]phenyl]urea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1020172-07-9.gif)