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CAS 1142191-57-8 2,5-Dibromo-3-methoxypyridine molecular structure lightbox
CAS RN: 1142191-57-8

2,5-Dibromo-3-methoxypyridine

  • Product code: SSC-014079
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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 1142191-57-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1142191-57-8 / 2,5-dibromo-3-methoxypyridine

2,5-Dibromo-3-methoxypyridine | DTXSID20673896 | RefChem:444233

Standard CAS: 1142191-57-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1142191-57-8
Multi CAS
No
Molecular Formula
C6H5Br2NO
Molecular Weight
266.920000
Exact Mass
266.871740
SMILES
COC1=C(N=CC(=C1)Br)Br
InChI
InChI=1S/C6H5Br2NO/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3
InChIKey
BUTXHBVASSLBPO-UHFFFAOYSA-N
Synonyms
2,5-Dibromo-3-methoxypyridine DTXSID20673896 RefChem:444233 DTXCID60624645 106-994-3

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.19
TPSA
22.12

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.5
Consensus LogP
2.48
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly 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)
-2.49

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)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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