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CAS 186593-53-3 2-AMINO-3-BROMO-5-HYDROXYPYRIDINE molecular structure lightbox
CAS RN: 186593-53-3

2-AMINO-3-BROMO-5-HYDROXYPYRIDINE

  • Product code: SSC-086712
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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: >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 186593-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

186593-53-3 / 6-amino-5-bromopyridin-3-ol

Standard CAS: 186593-53-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
186593-53-3
Multi CAS
No
Molecular Formula
C5H5BrN2O
Molecular Weight
189.010000
Exact Mass
187.958530
SMILES
C1=C(C=NC(=C1Br)N)O
InChI
InChI=1S/C5H5BrN2O/c6-4-1-3(9)2-8-5(4)7/h1-2,9H,(H2,7,8)
InChIKey
BVZMUNKWVZDBOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.01
TPSA
59.14

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
0.8
Consensus LogP
0.97
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.07

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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