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CAS 13212-83-4 2-Methyl-6-nitroimidazo[1,2-a]pyridine molecular structure lightbox
CAS RN: 13212-83-4

2-Methyl-6-nitroimidazo[1,2-a]pyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251113 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS13212-83-4
  • Purity/Analytical Methods: >99.0%
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13212-83-4 / 2-methyl-6-nitroimidazo[1,2-a]pyridine

Standard CAS: 13212-83-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13212-83-4
Multi CAS
No
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
SMILES
CC1=CN2C=C(C=CC2=N1)[N+](=O)[O-]
InChI
InChI=1S/C8H7N3O2/c1-6-4-10-5-7(11(12)13)2-3-8(10)9-6/h2-5H,1H3
InChIKey
NAMUPNJGITWKBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
46.58
TPSA
60.44

LogP / Solubility

WLOGP
1.55
MLOGP
1.36
XLogP3
2
Consensus LogP
1.64
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.7

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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