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CAS 1202941-04-5 3-bromo-4-hydrazinylpyridine molecular structure lightbox
CAS RN: 1202941-04-5

3-bromo-4-hydrazinylpyridine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250430 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1202941-04-5
  • Purity/Analytical Methods: >99.0%
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1202941-04-5 / (3-bromo-4-pyridinyl)hydrazine

3-bromo-4-hydrazinylpyridine | (3-bromopyridin-4-yl)hydrazine | MFCD00234090

Standard CAS: 1202941-04-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1202941-04-5
Multi CAS
No
Molecular Formula
C5H6BrN3
Molecular Weight
188.030000
Exact Mass
186.974510
SMILES
C1=CN=CC(=C1NN)Br
InChI
InChI=1S/C5H6BrN3/c6-4-3-8-2-1-5(4)9-7/h1-3H,7H2,(H,8,9)
InChIKey
YQFOKCAJSZDRHX-UHFFFAOYSA-N
Synonyms
3-bromo-4-hydrazinylpyridine (3-bromopyridin-4-yl)hydrazine MFCD00234090 3-bromo-4-hydrazinopyridine (3-bromo-4-pyridyl)hydrazine

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.75
TPSA
50.94

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
0.8
Consensus LogP
0.97
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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