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CAS 84725-13-3 5-Bromo-3-cyano-2-hydroxy-6-methylpyridine molecular structure lightbox
CAS RN: 84725-13-3

5-Bromo-3-cyano-2-hydroxy-6-methylpyridine

  • Product code: SSC-192288
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥98%
  • 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 84725-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Shenzhen Inquiry
0.25g ≥98% 0 Out of Stock Shanghai Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

84725-13-3 / 5-bromo-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

Standard CAS: 84725-13-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84725-13-3
Multi CAS
Yes
Molecular Formula
BC7H5ORn2
Molecular Weight
213.030000
Exact Mass
211.958530
InChI
InChI=1S/C7H5BrN2O/c1-4-6(8)2-5(3-9)7(11)10-4/h2H,1H3,(H,10,11)
InChIKey
XSDIDMLVJLNNNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.21
TPSA
56.65

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
0.9
Consensus LogP
1.13
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-3.08

Drug-likeness / Medicinal Chemistry

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

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