[email protected]
CAS 91668-84-7 2-bromo-6-methylpyridine 1-oxide molecular structure lightbox
CAS RN: 91668-84-7

2-bromo-6-methylpyridine 1-oxide

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260214 100mg / 250mg / 1g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: starshine_CAS91668-84-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

91668-84-7 / 2-bromo-6-methyl-1-oxidopyridin-1-ium

Standard CAS: 91668-84-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91668-84-7
Multi CAS
No
Molecular Formula
BC6H6ORn
Molecular Weight
188.020000
Exact Mass
186.963280
InChI
InChI=1S/C6H6BrNO/c1-5-3-2-4-6(7)8(5)9/h2-4H,1H3
InChIKey
LZOXAGOIFMCDHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
37.84
TPSA
26.94

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.3
Consensus LogP
1.3
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-2.88

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

Customers Also Viewed

Get In Touch

Contact Us