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CAS 1031927-16-8 IMidazo[1,2-a]pyridine, 6-broMo-8-nitro- molecular structure lightbox
CAS RN: 1031927-16-8

IMidazo[1,2-a]pyridine, 6-broMo-8-nitro-

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  • Product code: starshine_CAS1031927-16-8
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1031927-16-8 / 6-bromo-8-nitroimidazo[1,2-a]pyridine

6-Bromo-8-nitroimidazo[1,2-a]pyridine | MFCD09836167 | 6-bromo--8-nitro-imidazo[1,2-a]pyridine

Standard CAS: 1031927-16-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1031927-16-8
Multi CAS
No
Molecular Formula
C7H4BrN3O2
Molecular Weight
242.030000
Exact Mass
240.948690
SMILES
C1=CN2C=C(C=C(C2=N1)[N+](=O)[O-])Br
InChI
InChI=1S/C7H4BrN3O2/c8-5-3-6(11(12)13)7-9-1-2-10(7)4-5/h1-4H
InChIKey
VJQWZCOWPZAAFG-UHFFFAOYSA-N
Synonyms
6-Bromo-8-nitroimidazo[1,2-a]pyridine MFCD09836167 6-bromo--8-nitro-imidazo[1,2-a]pyridine SBB054715 AKOS027256093

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
49.55
TPSA
60.44

LogP / Solubility

WLOGP
2
MLOGP
1.77
XLogP3
2.3
Consensus LogP
2.02
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-2.77

Drug-likeness / Medicinal Chemistry

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

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