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CAS 2092141-77-8 7-Bromo-imidazo[1,2-a]pyridine-3-carbonitrile molecular structure lightbox
CAS RN: 2092141-77-8

7-Bromo-imidazo[1,2-a]pyridine-3-carbonitrile

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Batchno.20260627 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2092141-77-8
  • Purity/Analytical Methods: >99.0%
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2092141-77-8 / 7-bromoimidazo[1,2-a]pyridine-3-carbonitrile

Standard CAS: 2092141-77-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2092141-77-8
Multi CAS
No
Molecular Formula
C8H4BrN3
Molecular Weight
222.040000
Exact Mass
220.958860
SMILES
C1=CN2C(=NC=C2C#N)C=C1Br
InChI
InChI=1S/C8H4BrN3/c9-6-1-2-12-7(4-10)5-11-8(12)3-6/h1-3,5H
InChIKey
QITPSPXPANBKTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
47.61
TPSA
41.09

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
2.5
Consensus LogP
2.07
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.68

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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