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CAS 912772-88-4 3-AMINO-2,6-DICHLORO-4-CYANOPYRIDINE molecular structure lightbox
CAS RN: 912772-88-4

3-AMINO-2,6-DICHLORO-4-CYANOPYRIDINE

  • Product code: SSC-204209
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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 912772-88-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

912772-88-4 / 3-amino-2,6-dichloropyridine-4-carbonitrile

Standard CAS: 912772-88-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
912772-88-4
Multi CAS
No
Molecular Formula
C6H3CL2N3
Molecular Weight
188.010000
Exact Mass
186.970403
InChI
InChI=1S/C6H3Cl2N3/c7-4-1-3(2-9)5(10)6(8)11-4/h1H,10H2
InChIKey
KHPTVQQHMHHJEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.38
TPSA
62.7

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
2.4
Consensus LogP
1.95
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.56

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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