![CAS 1000342-77-7 1H-Pyrrolo[3,2-c]pyridine, 6-nitro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000342-77-7.gif)
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: 5g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1000342-77-7 / 6-nitro-1H-pyrrolo[3,2-c]pyridine
6-Nitro-5-azaindole | 6-Nitro-1H-pyrrolo[3,2-c]pyridine | 1000342-77-7
Basic Information
CAS
1000342-77-7
Multi CAS
No
Molecular Formula
C7H5N3O2
Molecular Weight
163.130000
Exact Mass
163.038176
SMILES
C1=CNC2=CC(=NC=C21)[N+](=O)[O-]
InChI
InChI=1S/C7H5N3O2/c11-10(12)7-3-6-5(4-9-7)1-2-8-6/h1-4,8H
InChIKey
NKDYJOFWMSSDFZ-UHFFFAOYSA-N
Synonyms
6-Nitro-5-azaindole
6-Nitro-1H-pyrrolo[3,2-c]pyridine
1000342-77-7
MFCD08690137
DTXSID90646633
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.75
TPSA
71.82
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
1.1
Consensus LogP
1.29
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.67
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
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6-Chloro-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one
- CAS RN: 1000342-80-2
- Product Code: SSC-000152
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![CAS 1000342-80-2 6-Chloro-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000342-80-2.gif)
