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CAS 114335-54-5 2-Amino-3-hydroxy-4-bromopyridine molecular structure lightbox
CAS RN: 114335-54-5

2-Amino-3-hydroxy-4-bromopyridine

  • Product code: SSC-014157
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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 114335-54-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

114335-54-5 / 2-amino-4-bromopyridin-3-ol

2-Amino-4-bromopyridin-3-ol | DTXSID60613857 | RefChem:255536

Standard CAS: 114335-54-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114335-54-5
Multi CAS
No
Molecular Formula
C5H5BrN2O
Molecular Weight
189.010000
Exact Mass
187.958530
SMILES
C1=CN=C(C(=C1Br)O)N
InChI
InChI=1S/C5H5BrN2O/c6-3-1-2-8-5(7)4(3)9/h1-2,9H,(H2,7,8)
InChIKey
VHVGFRZWGORWHX-UHFFFAOYSA-N
Synonyms
2-Amino-4-bromopyridin-3-ol DTXSID60613857 RefChem:255536 DTXCID00564612 818-270-0

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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