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CAS 691886-16-5 3-FLUORO-2-(1H-IMIDAZOL-2-YL)-PYRIDINE molecular structure lightbox
CAS RN: 691886-16-5

3-FLUORO-2-(1H-IMIDAZOL-2-YL)-PYRIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250306 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS691886-16-5
  • Purity/Analytical Methods: >99.0%
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691886-16-5 / 3-fluoro-2-(1H-imidazol-2-yl)pyridine

Standard CAS: 691886-16-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
691886-16-5
Multi CAS
No
Molecular Formula
C8FH6N3
Molecular Weight
163.150000
Exact Mass
163.054575
InChI
InChI=1S/C8H6FN3/c9-6-2-1-3-10-7(6)8-11-4-5-12-8/h1-5H,(H,11,12)
InChIKey
VZDJHBBHKBVZNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.78
TPSA
41.57

LogP / Solubility

WLOGP
1.61
MLOGP
1.41
XLogP3
0.8
Consensus LogP
1.27
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

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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