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 | Shanghai | Inquiry |
1041837-79-9 / 5-fluoro-2-(5-fluoro-2-pyridinyl)pyridine
5,5'-DIFLUORO-2,2'-BIPYRIDINE | MFCD14636202 | SCHEMBL811754
Basic Information
CAS
1041837-79-9
Multi CAS
No
Molecular Formula
C10H6F2N2
Molecular Weight
192.160000
Exact Mass
192.049905
SMILES
C1=CC(=NC=C1F)C2=NC=C(C=C2)F
InChI
InChI=1S/C10H6F2N2/c11-7-1-3-9(13-5-7)10-4-2-8(12)6-14-10/h1-6H
InChIKey
QGMACLFYKMYCNI-UHFFFAOYSA-N
Synonyms
5,5'-DIFLUORO-2,2'-BIPYRIDINE
MFCD14636202
SCHEMBL811754
CS-41304
SY326108
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.38
TPSA
25.78
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
1.7
Consensus LogP
2.08
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-2.17
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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