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CAS 1187930-34-2 3-AMino-6-broMopyridin-2(1H)-one hydrobroMide molecular structure lightbox
CAS RN: 1187930-34-2

3-AMino-6-broMopyridin-2(1H)-one hydrobroMide

  • Product code: SSC-018829
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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 1187930-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1187930-34-2 / 3-amino-6-bromo-1H-pyridin-2-one;hydrobromide

3-amino-6-bromopyridin-2-ol hydrobromide | RefChem:497460 | 854-663-3

Standard CAS: 1187930-34-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1187930-34-2
Multi CAS
Yes
Molecular Formula
C5H6Br2N2O
Molecular Weight
269.920000
Exact Mass
269.882640
SMILES
C1=C(C(=O)NC(=C1)Br)N.Br
InChI
InChI=1S/C5H5BrN2O.BrH/c6-4-2-1-3(7)5(9)8-4;/h1-2H,7H2,(H,8,9);1H
InChIKey
BMARDSBNQZZKSG-UHFFFAOYSA-N
Synonyms
3-amino-6-bromopyridin-2-ol hydrobromide RefChem:497460 854-663-3 3-Amino-6-bromopyridin-2(1H)-one hydrobromide 3-AMINO-6-BROMO-PYRIDIN-2-OL HYDROBROMIDE

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.5
TPSA
58.88

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
1.3
Consensus LogP
1.25
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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