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CAS 89402-29-9 2-Bromo-3-fluoro-5-(trifluoromethyl)pyridine molecular structure lightbox
CAS RN: 89402-29-9

2-Bromo-3-fluoro-5-(trifluoromethyl)pyridine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250225 1g In stock Inquiry
Batchno.20250618 250mg In stock Inquiry
Batchno.20250224 5g In stock Inquiry
  • Product code: SSC-201371
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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: ≥97%
  • 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 89402-29-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

89402-29-9 / 2-bromo-3-fluoro-5-(trifluoromethyl)pyridine

Standard CAS: 89402-29-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89402-29-9
Multi CAS
No
Molecular Formula
BC6H2NRf4
Molecular Weight
243.980000
Exact Mass
242.930670
InChI
InChI=1S/C6H2BrF4N/c7-5-4(8)1-3(2-12-5)6(9,10)11/h1-2H
InChIKey
DNVIECHQUYQOOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
36.9
TPSA
12.89

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
2.9
Consensus LogP
2.85
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

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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