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CAS 114414-17-4 2-AMINO-3-HYDROXY-4-BROMOPYRIDINE HBR molecular structure lightbox
CAS RN: 114414-17-4

2-AMINO-3-HYDROXY-4-BROMOPYRIDINE HBR

  • Product code: SSC-014208
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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 114414-17-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

114414-17-4 / 2-amino-4-bromopyridin-3-ol;hydrobromide

2-Amino-4-bromopyridin-3-ol hydrobromide | 2-amino-3-hydroxy-4-bromopyridine hbr | 2-Amino-4-bromo-3-hydroxypyridine hbr

Standard CAS: 114414-17-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
114414-17-4
Multi CAS
No
Molecular Formula
C5H6Br2N2O
Molecular Weight
269.920000
Exact Mass
269.882640
SMILES
C1=CN=C(C(=C1Br)O)N.Br
InChI
InChI=1S/C5H5BrN2O.BrH/c6-3-1-2-8-5(7)4(3)9;/h1-2,9H,(H2,7,8);1H
InChIKey
AZDPXMBYUFHXAN-UHFFFAOYSA-N
Synonyms
2-Amino-4-bromopyridin-3-ol hydrobromide 2-amino-3-hydroxy-4-bromopyridine hbr 2-Amino-4-bromo-3-hydroxypyridine hbr 2-amino-3-hydroxy-4-bromopyridine hydrobromide 2-Amino-4-bromo-3-hydroxypyridine hydrobromide

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.34
TPSA
59.14

LogP / Solubility

WLOGP
1.71
MLOGP
1.51
XLogP3
1.71
Consensus LogP
1.64
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.83
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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