![CAS 1620569-19-8 7-(TrifluoroMethyl)iMidazo[1,2-a]pyridine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1620569-19-8.gif)
CAS RN: 1620569-19-8
7-(TrifluoroMethyl)iMidazo[1,2-a]pyridine-2-carboxylic acid
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS1620569-19-8
- Purity/Analytical Methods: >99.0%
1620569-19-8 / 7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
Basic Information
CAS
1620569-19-8
Multi CAS
No
Molecular Formula
C9H5F3N2O2
Molecular Weight
230.140000
Exact Mass
230.030312
SMILES
C1=CN2C=C(N=C2C=C1C(F)(F)F)C(=O)O
InChI
InChI=1S/C9H5F3N2O2/c10-9(11,12)5-1-2-14-4-6(8(15)16)13-7(14)3-5/h1-4H,(H,15,16)
InChIKey
WHUWCUCNZTWTPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.15
TPSA
54.6
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
2.5
Consensus LogP
2.12
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1620574-99-3 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-(TRIFLUOROMETHYL)-1H-PYRROLO[2,3-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1620574-99-3.gif)
