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CAS 1121056-94-7 5-Nitro-3-(trifluoromethyl)-2-pyridinamine molecular structure lightbox
CAS RN: 1121056-94-7

5-Nitro-3-(trifluoromethyl)-2-pyridinamine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260120 100mg In stock Shanghai Inquiry
Batchno.20250202 1g In stock Shanghai Inquiry
Batchno.20251118 250mg In stock Shanghai Inquiry
  • Product code: SSC-012598
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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 1121056-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

1121056-94-7 / 5-nitro-3-(trifluoromethyl)pyridin-2-amine

5-Nitro-3-(trifluoromethyl)pyridin-2-amine | MFCD18382741 | 5-nitro-3-trifluoromethyl-pyridin-2-ylamine

Standard CAS: 1121056-94-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1121056-94-7
Multi CAS
No
Molecular Formula
C6H4F3N3O2
Molecular Weight
207.110000
Exact Mass
207.025561
SMILES
C1=C(C=NC(=C1C(F)(F)F)N)[N+](=O)[O-]
InChI
InChI=1S/C6H4F3N3O2/c7-6(8,9)4-1-3(12(13)14)2-11-5(4)10/h1-2H,(H2,10,11)
InChIKey
RWDUIGPQGQPWDC-UHFFFAOYSA-N
Synonyms
5-Nitro-3-(trifluoromethyl)pyridin-2-amine MFCD18382741 5-nitro-3-trifluoromethyl-pyridin-2-ylamine SCHEMBL3650139 DTXSID90738921

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.31
TPSA
82.05

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.2
Consensus LogP
1.4
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85

Drug-likeness / Medicinal Chemistry

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

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