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CAS 51454-50-3 3-BroMo-5-Methyl-4-pyridinecarbonitrile molecular structure lightbox
CAS RN: 51454-50-3

3-BroMo-5-Methyl-4-pyridinecarbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250220 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-158294
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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 51454-50-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

51454-50-3 / 3-bromo-5-methylpyridine-4-carbonitrile

Standard CAS: 51454-50-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51454-50-3
Multi CAS
No
Molecular Formula
BC7H5Rn2
Molecular Weight
197.030000
Exact Mass
195.963610
InChI
InChI=1S/C7H5BrN2/c1-5-3-10-4-7(8)6(5)2-9/h3-4H,1H3
InChIKey
MZGUSIPDIMYQMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
41.39
TPSA
36.68

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
1.6
Consensus LogP
1.8
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.48

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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