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CAS 3534-50-7 3,5,6-TRIFLUORO-PYRIDIN-2-YLAMINE molecular structure lightbox
CAS RN: 3534-50-7

3,5,6-TRIFLUORO-PYRIDIN-2-YLAMINE

  • Product code: SSC-142317
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3534-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

3534-50-7 / 3,5,6-trifluoropyridin-2-amine

Standard CAS: 3534-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3534-50-7
Multi CAS
No
Molecular Formula
C5F3H3N2
Molecular Weight
148.090000
Exact Mass
148.024833
InChI
InChI=1S/C5H3F3N2/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H2,9,10)
InChIKey
NKEJHBNYXQTAKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.52
TPSA
38.91

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
1.1
Consensus LogP
1.04
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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