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 | Hong Kong | Inquiry |
1060804-45-6 / 4-fluoropyridin-3-ol
4-Fluoropyridin-3-ol | MFCD11656368 | SCHEMBL1180684
Basic Information
CAS
1060804-45-6
Multi CAS
No
Molecular Formula
C5H4FNO
Molecular Weight
113.090000
Exact Mass
113.027692
SMILES
C1=CN=CC(=C1F)O
InChI
InChI=1S/C5H4FNO/c6-4-1-2-7-3-5(4)8/h1-3,8H
InChIKey
QDRZHKUAOGGIPE-UHFFFAOYSA-N
Synonyms
4-Fluoropyridin-3-ol
MFCD11656368
SCHEMBL1180684
SCHEMBL29165256
SCHEMBL30129610
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
25.86
TPSA
33.12
LogP / Solubility
WLOGP
0.93
MLOGP
0.8
XLogP3
0.6
Consensus LogP
0.78
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
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)
-2.75
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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