CAS RN: 869108-67-8

2-Fluoro-6-vinylpyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250614 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS869108-67-8
  • Purity/Analytical Methods: >99.0%
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869108-67-8 / 2-ethenyl-6-fluoropyridine

Standard CAS: 869108-67-8 Multi CAS: Yes

Basic Information

CAS
869108-67-8
Multi CAS
Yes
Molecular Formula
C7FH6N
Molecular Weight
123.130000
Exact Mass
123.048427
InChI
InChI=1S/C7H6FN/c1-2-6-4-3-5-7(8)9-6/h2-5H,1H2
InChIKey
XQQAAGCZIYTIPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
34.29
TPSA
12.89

LogP / Solubility

WLOGP
1.86
MLOGP
1.63
XLogP3
2.1
Consensus LogP
1.86
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
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)
-2.15

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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