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CAS 25700-15-6 3-(1H-imidazol-1-yl)pyridine molecular structure lightbox
CAS RN: 25700-15-6

3-(1H-imidazol-1-yl)pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250908 100mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS25700-15-6
  • Purity/Analytical Methods: >99.0%
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25700-15-6 / 3-imidazol-1-ylpyridine

Standard CAS: 25700-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25700-15-6
Multi CAS
No
Molecular Formula
C8H7N3
Molecular Weight
145.160000
Exact Mass
145.063997
SMILES
C1=CC(=CN=C1)N2C=CN=C2
InChI
InChI=1S/C8H7N3/c1-2-8(6-9-3-1)11-5-4-10-7-11/h1-7H
InChIKey
HBSOMQPAIFVKGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
41.36
TPSA
30.71

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
0.6
Consensus LogP
0.99
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.71

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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