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CAS 685517-77-5 2,6-Difluoro-3,5-Diiodopyridine molecular structure lightbox
CAS RN: 685517-77-5

2,6-Difluoro-3,5-Diiodopyridine

  • Product code: SSC-178291
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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: 0.25g
  • 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 685517-77-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

685517-77-5 / 2,6-difluoro-3,5-diiodopyridine

Standard CAS: 685517-77-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
685517-77-5
Multi CAS
No
Molecular Formula
C5F2HI2N
Molecular Weight
366.870000
Exact Mass
366.816650
InChI
InChI=1S/C5HF2I2N/c6-4-2(8)1-3(9)5(7)10-4/h1H
InChIKey
IECQVDGWAMQGFP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
49.59
TPSA
12.89

LogP / Solubility

WLOGP
2.57
MLOGP
2.28
XLogP3
3
Consensus LogP
2.62
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-3.13

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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