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CAS 20730-07-8 2,5-Pyridinedicarbonitrile(6CI,8CI,9CI) molecular structure lightbox
CAS RN: 20730-07-8

2,5-Pyridinedicarbonitrile(6CI,8CI,9CI)

  • Product code: SSC-097609
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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 20730-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

20730-07-8 / pyridine-2,5-dicarbonitrile

Standard CAS: 20730-07-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20730-07-8
Multi CAS
No
Molecular Formula
C7H3N3
Molecular Weight
129.120000
Exact Mass
129.032697
SMILES
C1=CC(=NC=C1C#N)C#N
InChI
InChI=1S/C7H3N3/c8-3-6-1-2-7(4-9)10-5-6/h1-2,5H
InChIKey
YXHPFSCDWSLLRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
Molar refractivity
33.67
TPSA
60.47

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
0.6
Consensus LogP
0.71
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
Class (SILICOS-IT)
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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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