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CAS 1160936-51-5 5-BROMO-3-HYDROXYPICOLINONITRILE molecular structure lightbox
CAS RN: 1160936-51-5

5-BROMO-3-HYDROXYPICOLINONITRILE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251014 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-016225
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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 1160936-51-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1160936-51-5 / 5-bromo-3-hydroxypyridine-2-carbonitrile

5-Bromo-3-hydroxypicolinonitrile | 2-Pyridinecarbonitrile, 5-bromo-3-hydroxy- | 5-Bromo-3-hydroxypyridine-2-carbonitrile

Standard CAS: 1160936-51-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1160936-51-5
Multi CAS
No
Molecular Formula
C6H3BrN2O
Molecular Weight
199.000000
Exact Mass
197.942880
SMILES
C1=C(C=NC(=C1O)C#N)Br
InChI
InChI=1S/C6H3BrN2O/c7-4-1-6(10)5(2-8)9-3-4/h1,3,10H
InChIKey
STXULMQDCFXASR-UHFFFAOYSA-N
Synonyms
5-Bromo-3-hydroxypicolinonitrile 2-Pyridinecarbonitrile, 5-bromo-3-hydroxy- 5-Bromo-3-hydroxypyridine-2-carbonitrile MFCD26516911 SCHEMBL16429389

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.32
TPSA
56.91

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1.8
Consensus LogP
1.49
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-2.92

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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