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CAS 875051-80-2 6-amino-5-bromo-N-methylpicolinamide molecular structure lightbox
CAS RN: 875051-80-2

6-amino-5-bromo-N-methylpicolinamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250910 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS875051-80-2
  • Purity/Analytical Methods: >99.0%
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875051-80-2 / 6-amino-5-bromo-N-methylpyridine-2-carboxamide

Standard CAS: 875051-80-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
875051-80-2
Multi CAS
No
Molecular Formula
BC7H8ORn3
Molecular Weight
230.060000
Exact Mass
228.985070
InChI
InChI=1S/C7H8BrN3O/c1-10-7(12)5-3-2-4(8)6(9)11-5/h2-3H,1H3,(H2,9,11)(H,10,12)
InChIKey
NVTNVIOHHDRIJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.74
TPSA
68.01

LogP / Solubility

WLOGP
0.79
MLOGP
0.7
XLogP3
0.8
Consensus LogP
0.76
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-3.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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