CAS RN: 921630-14-0

2-Bromo-5-chloropyridine-4-carboxaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250623 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS921630-14-0
  • Purity/Analytical Methods: >99.0%
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921630-14-0 / 2-bromo-5-chloropyridine-4-carbaldehyde

Standard CAS: 921630-14-0 Multi CAS: No

Basic Information

CAS
921630-14-0
Multi CAS
No
Molecular Formula
C6H3BRCLNO
Molecular Weight
220.450000
Exact Mass
218.908650
InChI
InChI=1S/C6H3BrClNO/c7-6-1-4(3-10)5(8)2-9-6/h1-3H
InChIKey
OBHVMEJUYJSWKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.33
TPSA
29.96

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
2
Consensus LogP
2.12
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-2.42

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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