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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1196151-62-8 / 1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
1H-Pyrrolo[3,2-b]pyridine-3-carbonitrile | MFCD12963980 | 3-Cyano-4-azaindole
Basic Information
CAS
1196151-62-8
Multi CAS
No
Molecular Formula
C8H5N3
Molecular Weight
143.150000
Exact Mass
143.048347
SMILES
C1=CC2=C(C(=CN2)C#N)N=C1
InChI
InChI=1S/C8H5N3/c9-4-6-5-11-7-2-1-3-10-8(6)7/h1-3,5,11H
InChIKey
XURZLRKJXZOAGB-UHFFFAOYSA-N
Synonyms
1H-Pyrrolo[3,2-b]pyridine-3-carbonitrile
MFCD12963980
3-Cyano-4-azaindole
SCHEMBL586094
SCHEMBL30186073
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.81
TPSA
52.47
LogP / Solubility
WLOGP
1.43
MLOGP
1.26
XLogP3
0.8
Consensus LogP
1.16
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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