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CAS 1196156-17-8 2-bromo-4-ethynylpyridine molecular structure lightbox
CAS RN: 1196156-17-8

2-bromo-4-ethynylpyridine

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251202 100mg In stock Shanghai Inquiry
Batchno.20251125 1g In stock Shanghai Inquiry
Batchno.20250804 250mg In stock Shanghai Inquiry
  • Product code: SSC-020270
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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 1196156-17-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1196156-17-8 / 2-bromo-4-ethynylpyridine

2-bromo-4-ethynylpyridine | 2-Bromo-4-ethynyl-pyridine | Pyridine, 2-bromo-4-ethynyl-

Standard CAS: 1196156-17-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196156-17-8
Multi CAS
No
Molecular Formula
C7H4BrN
Molecular Weight
182.020000
Exact Mass
180.952710
SMILES
C#CC1=CC(=NC=C1)Br
InChI
InChI=1S/C7H4BrN/c1-2-6-3-4-9-7(8)5-6/h1,3-5H
InChIKey
MEYDJNWFFQNNFD-UHFFFAOYSA-N
Synonyms
2-bromo-4-ethynylpyridine 2-Bromo-4-ethynyl-pyridine Pyridine, 2-bromo-4-ethynyl- MFCD13189743 SCHEMBL5700328

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
39.87
TPSA
12.89

LogP / Solubility

WLOGP
1.83
MLOGP
1.6
XLogP3
2.1
Consensus LogP
1.84
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.53

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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