CAS RN: 1019020-06-4

6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde

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  • Product code: starshine_CAS1019020-06-4
  • Purity/Analytical Methods: >99.0%
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1019020-06-4 / 6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde

6-FLUOROIMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE | 6-Fluoro-imidazo[1,2-a]pyridine-3-carbaldehyde | Imidazo[1,2-a]pyridine-3-carboxaldehyde, 6-fluoro-

Standard CAS: 1019020-06-4 Multi CAS: No

Basic Information

CAS
1019020-06-4
Multi CAS
No
Molecular Formula
C8H5FN2O
Molecular Weight
164.140000
Exact Mass
164.038591
SMILES
C1=CC2=NC=C(N2C=C1F)C=O
InChI
InChI=1S/C8H5FN2O/c9-6-1-2-8-10-3-7(5-12)11(8)4-6/h1-5H
InChIKey
IDZDHTZYPZABPB-UHFFFAOYSA-N
Synonyms
6-FLUOROIMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE 6-Fluoro-imidazo[1,2-a]pyridine-3-carbaldehyde Imidazo[1,2-a]pyridine-3-carboxaldehyde, 6-fluoro- MFCD09994347 SCHEMBL3787763

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.54
TPSA
34.37

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
1.7
Consensus LogP
1.37
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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