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, 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.
771574-56-2 / (3,5-difluoro-2-pyridinyl)methanamine
Basic Information
CAS
771574-56-2
Multi CAS
Yes
Molecular Formula
C6F2H6N2
Molecular Weight
144.120000
Exact Mass
144.049905
InChI
InChI=1S/C6H6F2N2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H,2,9H2
InChIKey
LZJLIHLYNKCNQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.04
TPSA
38.91
LogP / Solubility
WLOGP
0.82
MLOGP
0.71
XLogP3
-0.1
Consensus LogP
0.48
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-3.02
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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