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CAS 1211519-66-2 3-Bromo-2-chloropyridin-4-ol molecular structure lightbox
CAS RN: 1211519-66-2

3-Bromo-2-chloropyridin-4-ol

  • Product code: SSC-022564
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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
  • 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 1211519-66-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry

1211519-66-2 / 3-bromo-2-chloro-1H-pyridin-4-one

3-Bromo-2-chloropyridin-4-ol | MFCD18257581 | 3-bromo-2-chloro-1H-pyridin-4-one

Standard CAS: 1211519-66-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211519-66-2
Multi CAS
No
Molecular Formula
C5H3BrClNO
Molecular Weight
208.440000
Exact Mass
206.908650
SMILES
C1=CNC(=C(C1=O)Br)Cl
InChI
InChI=1S/C5H3BrClNO/c6-4-3(9)1-2-8-5(4)7/h1-2H,(H,8,9)
InChIKey
WZFWCVWUCXALOD-UHFFFAOYSA-N
Synonyms
3-Bromo-2-chloropyridin-4-ol MFCD18257581 3-bromo-2-chloro-1H-pyridin-4-one SCHEMBL28420326 AKOS027425324

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.77
TPSA
32.86

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
1.9
Consensus LogP
1.76
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

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

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