CAS RN: 1120-87-2
4-Bromopyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250627 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong | 5-7 business days | Inquiry |
- Product code: starshine_CAS1120-87-2
- Purity/Analytical Methods: >99.0%
1120-87-2 / 4-bromopyridine
4-BROMOPYRIDINE | Pyridine, 4-bromo- | 4-pyridyl bromide
Basic Information
CAS
1120-87-2
Multi CAS
No
Molecular Formula
C5H4BrN
Molecular Weight
158.000000
Exact Mass
156.952710
SMILES
C1=CN=CC=C1Br
InChI
InChI=1S/C5H4BrN/c6-5-1-3-7-4-2-5/h1-4H
InChIKey
BSDGZUDFPKIYQG-UHFFFAOYSA-N
Synonyms
4-BROMOPYRIDINE
Pyridine, 4-bromo-
4-pyridyl bromide
CHEBI:51576
EINECS 214-320-5
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
31.94
TPSA
12.89
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.5
Consensus LogP
1.65
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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