CAS RN: 26163-06-4

5-Chloro-N,N-diMethylpyridin-2-aMine

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  • Product code: starshine_CAS26163-06-4
  • Purity/Analytical Methods: >99.0%
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26163-06-4 / 5-chloro-N,N-dimethylpyridin-2-amine

Standard CAS: 26163-06-4 Multi CAS: No

Basic Information

CAS
26163-06-4
Multi CAS
No
Molecular Formula
C7H9ClN2
Molecular Weight
156.610000
Exact Mass
156.045426
SMILES
CN(C)C1=NC=C(C=C1)Cl
InChI
InChI=1S/C7H9ClN2/c1-10(2)7-4-3-6(8)5-9-7/h3-5H,1-2H3
InChIKey
VZQQSMKAAURLQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.57
TPSA
16.13

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.9
Consensus LogP
1.76
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.4

Drug-likeness / Medicinal Chemistry

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

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