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CAS 17880-57-8 Picolinic acid, 5-ethynyl- (8CI) molecular structure lightbox
CAS RN: 17880-57-8

Picolinic acid, 5-ethynyl- (8CI)

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260102 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251210 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250125 10g In stock Shanghai Inquiry
Batchno.20260613 1g In stock Shanghai Inquiry
Batchno.20250530 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250325 5g In stock Shanghai Inquiry
  • Product code: SSC-079569
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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: ＞97%
  • 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 17880-57-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

17880-57-8 / 5-ethynylpyridine-2-carboxylic acid

Standard CAS: 17880-57-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17880-57-8
Multi CAS
No
Molecular Formula
C8H5NO2
Molecular Weight
147.130000
Exact Mass
147.032028
SMILES
C#CC1=CN=C(C=C1)C(=O)O
InChI
InChI=1S/C8H5NO2/c1-2-6-3-4-7(8(10)11)9-5-6/h1,3-5H,(H,10,11)
InChIKey
ZCSPZVBBZKXFHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.13
TPSA
50.19

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
1
Consensus LogP
0.81
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-3.08

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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