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CAS 848952-82-9 2-Pyridinecarboxylicacid,5-bromo-,hydrazide(9CI) molecular structure lightbox
CAS RN: 848952-82-9

2-Pyridinecarboxylicacid,5-bromo-,hydrazide(9CI)

  • Product code: SSC-192613
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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 848952-82-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

848952-82-9 / 5-bromopyridine-2-carbohydrazide

Standard CAS: 848952-82-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
848952-82-9
Multi CAS
No
Molecular Formula
BC6H6ORn3
Molecular Weight
216.040000
Exact Mass
214.969420
InChI
InChI=1S/C6H6BrN3O/c7-4-1-2-5(9-3-4)6(11)10-8/h1-3H,8H2,(H,10,11)
InChIKey
ILFSNCKFUDLHIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.59
TPSA
68.01

LogP / Solubility

WLOGP
0.45
MLOGP
0.4
XLogP3
0.4
Consensus LogP
0.42
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
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)
-3.72

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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