CAS RN: 1227586-58-4

2-Fluoro-6-methoxypyridin-4-amine

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  • Product code: starshine_CAS1227586-58-4
  • Purity/Analytical Methods: >99.0%
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1227586-58-4 / 2-fluoro-6-methoxypyridin-4-amine

Standard CAS: 1227586-58-4 Multi CAS: No

Basic Information

CAS
1227586-58-4
Multi CAS
No
Molecular Formula
C6H7FN2O
Molecular Weight
142.130000
Exact Mass
142.054241
SMILES
COC1=NC(=CC(=C1)N)F
InChI
InChI=1S/C6H7FN2O/c1-10-6-3-4(8)2-5(7)9-6/h2-3H,1H3,(H2,8,9)
InChIKey
NSMXXDYRZZBOIH-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
3
H-bond donors
1
Molar refractivity
35.16
TPSA
48.14

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
0.9
Consensus LogP
0.81
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-3.01

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

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