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CAS 884494-91-1 2,4-DIBROMO-5-FLUORO-3-NITROPYRIDINE molecular structure lightbox
CAS RN: 884494-91-1

2,4-DIBROMO-5-FLUORO-3-NITROPYRIDINE

  • Product code: SSC-199101
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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 884494-91-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

884494-91-1 / 2,4-dibromo-5-fluoro-3-nitropyridine

Standard CAS: 884494-91-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
884494-91-1
Multi CAS
No
Molecular Formula
C5HBR2FN2O2
Molecular Weight
299.880000
Exact Mass
299.836830
InChI
InChI=1S/C5HBr2FN2O2/c6-3-2(8)1-9-5(7)4(3)10(11)12/h1H
InChIKey
RUKHOWBZNXYATH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.25
TPSA
56.03

LogP / Solubility

WLOGP
2.65
MLOGP
2.35
XLogP3
2.5
Consensus LogP
2.5
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-2.67

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

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