CAS RN: 724770-74-5

6-Bromo-2-ethylaminopyridine,HCl

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  • Product code: starshine_CAS724770-74-5
  • Purity/Analytical Methods: >99.0%
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724770-74-5 / 6-bromo-N-ethylpyridin-2-amine

Standard CAS: 724770-74-5 Multi CAS: Yes

Basic Information

CAS
724770-74-5
Multi CAS
Yes
Molecular Formula
BC7H9Rn2
Molecular Weight
201.060000
Exact Mass
199.994910
InChI
InChI=1S/C7H9BrN2.ClH/c1-2-9-7-5-3-4-6(8)10-7;/h3-5H,2H2,1H3,(H,9,10);1H
InChIKey
CTGFUHCVLOERIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.1
TPSA
24.92

LogP / Solubility

WLOGP
2.28
MLOGP
2
XLogP3
2.6
Consensus LogP
2.29
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-2.33

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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