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CAS 19840-44-9 5-bromo-6-hydroxypyridine-3-carbonitrile molecular structure lightbox
CAS RN: 19840-44-9

5-bromo-6-hydroxypyridine-3-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250218 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-093479
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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 19840-44-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

19840-44-9 / 5-bromo-6-oxo-1H-pyridine-3-carbonitrile

Standard CAS: 19840-44-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19840-44-9
Multi CAS
No
Molecular Formula
C6H3BrN2O
Molecular Weight
199.000000
Exact Mass
197.942880
SMILES
C1=C(C(=O)NC=C1C#N)Br
InChI
InChI=1S/C6H3BrN2O/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,(H,9,10)
InChIKey
NCIBXYJEJGGUFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.48
TPSA
56.65

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
0.5
Consensus LogP
0.8
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-3.22

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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