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CAS 184416-82-8 2,3-Dichloroisonicotinonitrile molecular structure lightbox
CAS RN: 184416-82-8

2,3-Dichloroisonicotinonitrile

  • Product code: SSC-085269
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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 184416-82-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

184416-82-8 / 2,3-dichloropyridine-4-carbonitrile

Standard CAS: 184416-82-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
184416-82-8
Multi CAS
No
Molecular Formula
C6H2Cl2N2
Molecular Weight
173.000000
Exact Mass
171.959504
SMILES
C1=CN=C(C(=C1C#N)Cl)Cl
InChI
InChI=1S/C6H2Cl2N2/c7-5-4(3-9)1-2-10-6(5)8/h1-2H
InChIKey
HXRFGNCWSFAQOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
38.97
TPSA
36.68

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
2.2
Consensus LogP
2.15
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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