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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1190316-69-8 / 6-fluoro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
6-fluoro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde | 6-Fluoro-5-azaindole-3-carbaldehyde | 1H-Pyrrolo[3,2-c]pyridine-3-carboxaldehyde, 6-fluoro-
Basic Information
CAS
1190316-69-8
Multi CAS
No
Molecular Formula
C8H5FN2O
Molecular Weight
164.140000
Exact Mass
164.038591
SMILES
C1=C2C(=CN=C1F)C(=CN2)C=O
InChI
InChI=1S/C8H5FN2O/c9-8-1-7-6(3-11-8)5(4-12)2-10-7/h1-4,10H
InChIKey
DMHLRSZOXCGDEY-UHFFFAOYSA-N
Synonyms
6-fluoro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
6-Fluoro-5-azaindole-3-carbaldehyde
1H-Pyrrolo[3,2-c]pyridine-3-carboxaldehyde, 6-fluoro-
MFCD12962620
SCHEMBL29950684
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.44
TPSA
45.75
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
0.9
Consensus LogP
1.25
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
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)
-2.65
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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