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CAS 105252-98-0 2(1H)-Pyridinone,4-amino-5-fluoro-(9CI) molecular structure lightbox
CAS RN: 105252-98-0

2(1H)-Pyridinone,4-amino-5-fluoro-(9CI)

  • Product code: SSC-006960
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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: 0.05g, 0.1g
  • 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 105252-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

105252-98-0 / 4-amino-5-fluoro-1H-pyridin-2-one

4-Amino-5-fluoropyridin-2(1H)-one | 4-Amino-5-fluoro-1H-pyridin-2-one | 2(1H)-Pyridinone,4-amino-5-fluoro-(9CI)

Standard CAS: 105252-98-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105252-98-0
Multi CAS
Yes
Molecular Formula
C5H5FN2O
Molecular Weight
128.100000
Exact Mass
128.038591
SMILES
C1=C(C(=CNC1=O)F)N
InChI
InChI=1S/C5H5FN2O/c6-3-2-8-5(9)1-4(3)7/h1-2H,(H3,7,8,9)
InChIKey
OXWQVERSCXJERS-UHFFFAOYSA-N
Synonyms
4-Amino-5-fluoropyridin-2(1H)-one 4-Amino-5-fluoro-1H-pyridin-2-one 2(1H)-Pyridinone,4-amino-5-fluoro-(9CI) CHEMBL116923 SCHEMBL1687042

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
31.43
TPSA
58.88

LogP / Solubility

WLOGP
0.1
MLOGP
0.08
XLogP3
-0.9
Consensus LogP
-0.24
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.57
Class (SILICOS-IT)
Very 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)
-3.43

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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