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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
1060805-03-9 / 3-fluoro-4-methoxypyridine
3-Fluoro-4-methoxypyridine | 3-Fluoro-4-methoxy-pyridine | MFCD13185605
Basic Information
CAS
1060805-03-9
Multi CAS
No
Molecular Formula
C6H6FNO
Molecular Weight
127.120000
Exact Mass
127.043342
SMILES
COC1=C(C=NC=C1)F
InChI
InChI=1S/C6H6FNO/c1-9-6-2-3-8-4-5(6)7/h2-4H,1H3
InChIKey
XYTUUTJNWFECNS-UHFFFAOYSA-N
Synonyms
3-Fluoro-4-methoxypyridine
3-Fluoro-4-methoxy-pyridine
MFCD13185605
SCHEMBL3431811
SCHEMBL4373859
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
30.75
TPSA
22.12
LogP / Solubility
WLOGP
1.23
MLOGP
1.07
XLogP3
0.9
Consensus LogP
1.07
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-2.62
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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2-Pyridinecarboxaldehyde, 6-chloro-4-methoxy-
- CAS RN: 1060805-05-1
- Product Code: SSC-007769
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