![CAS 19918-36-6 2-(trifluoromethyl)-1H-imidazo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/19918-36-6.gif)
CAS RN: 19918-36-6
2-(trifluoromethyl)-1H-imidazo[4,5-c]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250205 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS19918-36-6
- Purity/Analytical Methods: >99.0%
19918-36-6 / 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine
Basic Information
CAS
19918-36-6
Multi CAS
No
Molecular Formula
C7H4F3N3
Molecular Weight
187.120000
Exact Mass
187.035732
SMILES
C1=CN=CC2=C1N=C(N2)C(F)(F)F
InChI
InChI=1S/C7H4F3N3/c8-7(9,10)6-12-4-1-2-11-3-5(4)13-6/h1-3H,(H,12,13)
InChIKey
ATGHGGBCGLFTCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.89
TPSA
41.57
LogP / Solubility
WLOGP
1.98
MLOGP
1.74
XLogP3
0.9
Consensus LogP
1.54
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.46
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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