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CAS 1361825-47-9 6-bromo-3-(trifluoromethoxy)pyridin-2-amine molecular structure lightbox
CAS RN: 1361825-47-9

6-bromo-3-(trifluoromethoxy)pyridin-2-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260224 100mg / 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1361825-47-9
  • Purity/Analytical Methods: >99.0%
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1361825-47-9 / 6-bromo-3-(trifluoromethoxy)pyridin-2-amine

Standard CAS: 1361825-47-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1361825-47-9
Multi CAS
No
Molecular Formula
C6H4BrF3N2O
Molecular Weight
257.010000
Exact Mass
255.945910
SMILES
C1=CC(=NC(=C1OC(F)(F)F)N)Br
InChI
InChI=1S/C6H4BrF3N2O/c7-4-2-1-3(5(11)12-4)13-6(8,9)10/h1-2H,(H2,11,12)
InChIKey
DBTWPESSVVACOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.03
TPSA
48.14

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
2.7
Consensus LogP
2.36
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

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

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