![CAS 62778-11-4 Pyridinium Poly(hydrogenfluoride) [Fluorinating Reagent] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p0999-jpgcontextbwfzdgvyfhjvb3r8mjg5mzd8aw1hz2uvanblz3xonzyvagy3lzg5mze5njuwnzu0odyvuda5otkuanbnfgy2mjnmzmmzmdy2mdq4ymqzode0ngnmnzcwnwqxyza3owfhndfmodyyyjhkngqxztaxnzi3mgy5ytqwowi1nmy.jpeg)
CAS RN: 62778-11-4
Pyridinium Poly(hydrogenfluoride) [Fluorinating Reagent]
Product Availability
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4 package records4 with current stock1 grade group
- Product code: ICTP0999
62778-11-4 / pyridine;hydrofluoride
Basic Information
CAS
62778-11-4
Multi CAS
Yes
Molecular Formula
C5FH6N
Molecular Weight
99.110000
Exact Mass
99.048427
InChI
InChI=1S/C5H5N.FH/c1-2-4-6-5-3-1;/h1-5H;1H
InChIKey
GRJJQCWNZGRKAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.74
TPSA
12.89
LogP / Solubility
WLOGP
1.23
MLOGP
1.07
XLogP3
1.23
Consensus LogP
1.18
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-2.45
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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