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CAS 65600-69-3 3-aminopyridin-1-ium-1-olate hydrochloride molecular structure lightbox
CAS RN: 65600-69-3

3-aminopyridin-1-ium-1-olate hydrochloride

  • Product code: SSC-175240
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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 65600-69-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

65600-69-3 / 1-oxidopyridin-1-ium-3-amine;hydrochloride

Standard CAS: 65600-69-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65600-69-3
Multi CAS
No
Molecular Formula
C5H7CLN2O
Molecular Weight
146.570000
Exact Mass
146.024691
InChI
InChI=1S/C5H6N2O.ClH/c6-5-2-1-3-7(8)4-5;/h1-4H,6H2;1H
InChIKey
KQGFTAJGCKDUSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.06
TPSA
52.96

LogP / Solubility

WLOGP
0.32
MLOGP
0.28
XLogP3
0.32
Consensus LogP
0.31
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
Class (SILICOS-IT)
Very 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)
-3.38

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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