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CAS 16297-19-1 4-iodo-2,3,5,6-tetrafluoropyridine molecular structure lightbox
CAS RN: 16297-19-1

4-iodo-2,3,5,6-tetrafluoropyridine

  • Product code: SSC-070519
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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 16297-19-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

16297-19-1 / 2,3,5,6-tetrafluoro-4-iodopyridine

Standard CAS: 16297-19-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16297-19-1
Multi CAS
No
Molecular Formula
C5F4IN
Molecular Weight
276.960000
Exact Mass
276.901160
SMILES
C1(=C(C(=C(N=C1F)F)F)I)F
InChI
InChI=1S/C5F4IN/c6-1-3(10)2(7)5(9)11-4(1)8
InChIKey
HNPRQTRSDKIVFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
36.79
TPSA
12.89

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
2.6
Consensus LogP
2.27
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.82

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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