![CAS 1260387-09-4 4-fluoro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1260387-09-4.gif)
CAS RN: 1260387-09-4
4-fluoro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
- Product code: SSC-031596
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 | Shenzhen | Inquiry |
1260387-09-4 / 4-fluoro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
Basic Information
CAS
1260387-09-4
Multi CAS
No
Molecular Formula
C8H5FN2O2
Molecular Weight
180.140000
Exact Mass
180.033506
SMILES
C1=CNC2=NC=C(C(=C21)F)C(=O)O
InChI
InChI=1S/C8H5FN2O2/c9-6-4-1-2-10-7(4)11-3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
MOFQOEDBMKIYBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.01
TPSA
65.98
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
0.9
Consensus LogP
1.18
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.82
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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