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CAS 1125410-07-2 5-Chloro-4-iodo-2(1H)-pyridinone molecular structure lightbox
CAS RN: 1125410-07-2

5-Chloro-4-iodo-2(1H)-pyridinone

  • Product code: SSC-012923
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1125410-07-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1125410-07-2 / 5-chloro-4-iodo-1H-pyridin-2-one

5-CHLORO-2-HYDROXY-4-IODOPYRIDINE | 5-Chloro-4-iodo-2(1H)-pyridinone | 5-chloro-4-iodo-1H-pyridin-2-one

Standard CAS: 1125410-07-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1125410-07-2
Multi CAS
No
Molecular Formula
C5H3ClINO
Molecular Weight
255.440000
Exact Mass
254.894790
SMILES
C1=C(C(=CNC1=O)Cl)I
InChI
InChI=1S/C5H3ClINO/c6-3-2-8-5(9)1-4(3)7/h1-2H,(H,8,9)
InChIKey
XGUZXMHAZKSDMD-UHFFFAOYSA-N
Synonyms
5-CHLORO-2-HYDROXY-4-IODOPYRIDINE 5-Chloro-4-iodo-2(1H)-pyridinone 5-chloro-4-iodo-1H-pyridin-2-one 5-chloro-4-iodopyridin-2-ol 5-chloro-4-iodo-1,2-dihydropyridin-2-one

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.79
TPSA
32.86

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
0.8
Consensus LogP
1.29
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately 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)
-3.12

Drug-likeness / Medicinal Chemistry

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

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