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CAS 884494-52-4 3-BROMO-2-FLUORO-4-IODOPYRIDINE molecular structure lightbox
CAS RN: 884494-52-4

3-BROMO-2-FLUORO-4-IODOPYRIDINE

  • Product code: SSC-199073
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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 884494-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

884494-52-4 / 3-bromo-2-fluoro-4-iodopyridine

Standard CAS: 884494-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
884494-52-4
Multi CAS
No
Molecular Formula
BC5H2InRf
Molecular Weight
301.880000
Exact Mass
300.839940
InChI
InChI=1S/C5H2BrFIN/c6-4-3(8)1-2-9-5(4)7/h1-2H
InChIKey
IAZJZTNSBFOSIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
44.61
TPSA
12.89

LogP / Solubility

WLOGP
2.59
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.49
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

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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