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CAS 111770-86-6 5-Bromo-2-ethynylpyridine molecular structure lightbox
CAS RN: 111770-86-6

5-Bromo-2-ethynylpyridine

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260517 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251122 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251109 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250923 25g In stock Shanghai Inquiry
Batchno.20251227 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20250814 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-012299
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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: 0.25g, 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 111770-86-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 0 Out of Stock Shenzhen Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

111770-86-6 / 5-bromo-2-ethynylpyridine

5-bromo-2-ethynylpyridine | DTXSID40553707 | RefChem:301641

Standard CAS: 111770-86-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111770-86-6
Multi CAS
Yes
Molecular Formula
C7H4BrN
Molecular Weight
182.020000
Exact Mass
180.952710
SMILES
C#CC1=NC=C(C=C1)Br
InChI
InChI=1S/C7H4BrN/c1-2-7-4-3-6(8)5-9-7/h1,3-5H
InChIKey
VGLAJERHBBEPQP-UHFFFAOYSA-N
Synonyms
5-bromo-2-ethynylpyridine DTXSID40553707 RefChem:301641 DTXCID80504490 834-075-3

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
1.8
Consensus LogP
1.74
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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