CAS RN: 36953-42-1
3-Bromo-4-chloropyridine
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
- Product code: starshine_CAS36953-42-1
- Purity/Analytical Methods: >99.0%
36953-42-1 / 3-bromo-2-chloropyridine
Basic Information
CAS
36953-42-1
Multi CAS
Yes
Molecular Formula
C5H3BRCLN
Molecular Weight
192.440000
Exact Mass
190.913740
InChI
InChI=1S/C5H3BrClN/c6-4-3-8-2-1-5(4)7/h1-3H
InChIKey
QADXKWUCCGPQNR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
36.95
TPSA
12.89
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
2.2
Consensus LogP
2.3
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.12
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
