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CAS 221297-82-1 2-Amino-3-bromo-4-chloropyridine molecular structure lightbox
CAS RN: 221297-82-1

2-Amino-3-bromo-4-chloropyridine

  • Product code: SSC-106480
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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, 5g, 10g, 25g
  • 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 221297-82-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

221297-82-1 / 3-bromo-4-chloropyridin-2-amine

Standard CAS: 221297-82-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221297-82-1
Multi CAS
No
Molecular Formula
C5H4BrClN2
Molecular Weight
207.450000
Exact Mass
205.924640
SMILES
C1=CN=C(C(=C1Cl)Br)N
InChI
InChI=1S/C5H4BrClN2/c6-4-3(7)1-2-9-5(4)8/h1-2H,(H2,8,9)
InChIKey
CNOIGNSHTUNNGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.36
TPSA
38.91

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
1.8
Consensus LogP
1.9
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.51

Drug-likeness / Medicinal Chemistry

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

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