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CAS 850220-78-9 6-broMo-2-chloro-3-Methoxypyridine molecular structure lightbox
CAS RN: 850220-78-9

6-broMo-2-chloro-3-Methoxypyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251016 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS850220-78-9
  • Purity/Analytical Methods: >99.0%
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850220-78-9 / 6-bromo-2-chloro-3-methoxypyridine

Standard CAS: 850220-78-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850220-78-9
Multi CAS
No
Molecular Formula
C6H5BRCLNO
Molecular Weight
222.470000
Exact Mass
220.924300
InChI
InChI=1S/C6H5BrClNO/c1-10-4-2-3-5(7)9-6(4)8/h2-3H,1H3
InChIKey
CDTGXQKYYONNKB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.5
TPSA
22.12

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
2.8
Consensus LogP
2.51
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.3

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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