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CAS 54231-42-4 2-Hydrazinyl-3-iodopyridine molecular structure lightbox
CAS RN: 54231-42-4

2-Hydrazinyl-3-iodopyridine

  • Product code: SSC-161857
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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 54231-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

54231-42-4 / (3-iodo-2-pyridinyl)hydrazine

Standard CAS: 54231-42-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54231-42-4
Multi CAS
Yes
Molecular Formula
C5H6In3
Molecular Weight
235.030000
Exact Mass
234.960640
InChI
InChI=1S/C5H6IN3/c6-4-2-1-3-8-5(4)9-7/h1-3H,7H2,(H,8,9)
InChIKey
WRRJCOZVATYAGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.76
TPSA
50.94

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
1.1
Consensus LogP
0.98
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately 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)
-3.46

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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