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CAS 652160-72-0 2-BROMO-5-FLUORO-3-NITROPYRIDINE molecular structure lightbox
CAS RN: 652160-72-0

2-BROMO-5-FLUORO-3-NITROPYRIDINE

  • Product code: SSC-174902
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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: 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 652160-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

652160-72-0 / 2-bromo-5-fluoro-3-nitropyridine

Standard CAS: 652160-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
652160-72-0
Multi CAS
No
Molecular Formula
BC5H2N2O2Rf
Molecular Weight
220.980000
Exact Mass
219.928370
InChI
InChI=1S/C5H2BrFN2O2/c6-5-4(9(10)11)1-3(7)2-8-5/h1-2H
InChIKey
XJFDIIHIXNIWQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
38.55
TPSA
56.03

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
1.8
Consensus LogP
1.79
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.73

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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