![CAS 688781-87-5 1H-Pyrrolo[2,3-b]pyridine, 6-chloro-4-nitro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/688781-87-5.gif)
CAS RN: 688781-87-5
1H-Pyrrolo[2,3-b]pyridine, 6-chloro-4-nitro-
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.20251128 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS688781-87-5
- Purity/Analytical Methods: >99.0%
688781-87-5 / 6-chloro-4-nitro-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
688781-87-5
Multi CAS
Yes
Molecular Formula
C7H4CLN3O2
Molecular Weight
197.580000
Exact Mass
196.999204
InChI
InChI=1S/C7H4ClN3O2/c8-6-3-5(11(12)13)4-1-2-9-7(4)10-6/h1-3H,(H,9,10)
InChIKey
OOHNIAVMKNEEGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.76
TPSA
71.82
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
2.1
Consensus LogP
2.03
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
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
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 688782-02-7 4-Chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
exo-7-(tert-butoxycarbonyl)-7-aza-bicyclo[2.2.1]heptane-2-carboxylic acid methyl ester racemate
- CAS RN: 688790-06-9
- Product Code: SSC-178544
-
-
-
-
2-(MethoxyMethyl)-piperidine HCl
- CAS RN: 688809-98-5
- Product Code: starshine_CAS688809-98-5
- Purity/Analytical method: >99.0%
![CAS 688782-02-7 4-Chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/688782-02-7.gif)
![CAS 688790-06-9 exo-7-(tert-butoxycarbonyl)-7-aza-bicyclo[2.2.1]heptane-2-carboxylic acid methyl ester racemate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/688790-06-9.gif)
