![CAS 1196155-89-1 5-chloro-1H,2H,3H-pyrrolo[2,3-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/h888050.gif)
CAS RN: 1196155-89-1
5-chloro-1H,2H,3H-pyrrolo[2,3-c]pyridine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-020265
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1196155-89-1 / 5-chloro-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine
5-CHLORO-2,3-DIHYDRO-1H-PYRROLO[2,3-C]PYRIDINE | 1H-Pyrrolo[2,3-c]pyridine, 5-chloro-2,3-dihydro- | MFCD13190303
Basic Information
CAS
1196155-89-1
Multi CAS
No
Molecular Formula
C7H7ClN2
Molecular Weight
154.600000
Exact Mass
154.029776
SMILES
C1CNC2=CN=C(C=C21)Cl
InChI
InChI=1S/C7H7ClN2/c8-7-3-5-1-2-9-6(5)4-10-7/h3-4,9H,1-2H2
InChIKey
MIQQKSAKMOGMOQ-UHFFFAOYSA-N
Synonyms
5-CHLORO-2,3-DIHYDRO-1H-PYRROLO[2,3-C]PYRIDINE
1H-Pyrrolo[2,3-c]pyridine, 5-chloro-2,3-dihydro-
MFCD13190303
5-CHLORO-1H,2H,3H-PYRROLO[2,3-C]PYRIDINE
5-Chloro-2,3-dihydro-6-azaindole
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.44
TPSA
24.92
LogP / Solubility
WLOGP
1.7
MLOGP
1.49
XLogP3
1.8
Consensus LogP
1.66
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
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
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