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CAS 1171975-51-1 3-Amino-6-bromo-2,5-dimethylpyridine molecular structure lightbox
CAS RN: 1171975-51-1

3-Amino-6-bromo-2,5-dimethylpyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1171975-51-1
  • Purity/Analytical Methods: >99.0%
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1171975-51-1 / 6-bromo-2,5-dimethylpyridin-3-amine

6-bromo-2,5-dimethylpyridin-3-amine | 3-amino-6-bromo-2,5-dimethylpyridine | MFCD22682709

Standard CAS: 1171975-51-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1171975-51-1
Multi CAS
No
Molecular Formula
C7H9BrN2
Molecular Weight
201.060000
Exact Mass
199.994910
SMILES
CC1=CC(=C(N=C1Br)C)N
InChI
InChI=1S/C7H9BrN2/c1-4-3-6(9)5(2)10-7(4)8/h3H,9H2,1-2H3
InChIKey
NUQWNSNLKAQLLF-UHFFFAOYSA-N
Synonyms
6-bromo-2,5-dimethylpyridin-3-amine 3-amino-6-bromo-2,5-dimethylpyridine MFCD22682709 SCHEMBL4021526 SCHEMBL31185828

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.82
TPSA
38.91

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
2
Consensus LogP
1.95
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.5

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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