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CAS 856161-24-5 3-AMino-5-iodo-1H-pyridin-2-one molecular structure lightbox
CAS RN: 856161-24-5

3-AMino-5-iodo-1H-pyridin-2-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260405 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS856161-24-5
  • Purity/Analytical Methods: >99.0%
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856161-24-5 / 3-amino-5-iodo-1H-pyridin-2-one

Standard CAS: 856161-24-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
856161-24-5
Multi CAS
Yes
Molecular Formula
C5H5In2O
Molecular Weight
236.010000
Exact Mass
235.944660
InChI
InChI=1S/C5H5IN2O/c6-3-1-4(7)5(9)8-2-3/h1-2H,7H2,(H,8,9)
InChIKey
UBTVLIJOTAIWGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.19
TPSA
58.88

LogP / Solubility

WLOGP
0.56
MLOGP
0.5
XLogP3
-0.1
Consensus LogP
0.32
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.76

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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