CAS RN: 83261-73-8

Pyridine, 2,4-difluoro-6-methyl- (9CI)

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  • Product code: starshine_CAS83261-73-8
  • Purity/Analytical Methods: >99.0%
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83261-73-8 / 2,4-difluoro-6-methylpyridine

Standard CAS: 83261-73-8 Multi CAS: No

Basic Information

CAS
83261-73-8
Multi CAS
No
Molecular Formula
C6F2H5N
Molecular Weight
129.110000
Exact Mass
129.039005
InChI
InChI=1S/C6H5F2N/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3
InChIKey
ZFQQJBUDQPEFRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
28.89
TPSA
12.89

LogP / Solubility

WLOGP
1.67
MLOGP
1.46
XLogP3
1.8
Consensus LogP
1.64
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
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)
-2.32

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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