CAS RN: 696632-07-2

3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid

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  • Product code: starshine_CAS696632-07-2
  • Purity/Analytical Methods: >99.0%
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696632-07-2 / 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid

Standard CAS: 696632-07-2 Multi CAS: Yes

Basic Information

CAS
696632-07-2
Multi CAS
Yes
Molecular Formula
C9FH7N2O2
Molecular Weight
194.160000
Exact Mass
194.049156
InChI
InChI=1S/C9H7FN2O2/c1-5-2-3-12-6(4-5)11-7(8(12)10)9(13)14/h2-4H,1H3,(H,13,14)
InChIKey
QGTMCQZLKZQARU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.85
TPSA
54.6

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
2.4
Consensus LogP
1.73
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.85

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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