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CAS 499796-71-3 2-Pyridinecarboxamide,5-fluoro-(9CI) molecular structure lightbox
CAS RN: 499796-71-3

2-Pyridinecarboxamide,5-fluoro-(9CI)

  • Product code: SSC-156229
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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: 10g
  • Available purity: ＞97%
  • 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 499796-71-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

499796-71-3 / 5-fluoropyridine-2-carboxamide

Standard CAS: 499796-71-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
499796-71-3
Multi CAS
No
Molecular Formula
C6FH5N2O
Molecular Weight
140.110000
Exact Mass
140.038591
InChI
InChI=1S/C6H5FN2O/c7-4-1-2-5(6(8)10)9-3-4/h1-3H,(H2,8,10)
InChIKey
CWKOQDDWKWTOCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.71
TPSA
55.98

LogP / Solubility

WLOGP
0.32
MLOGP
0.27
XLogP3
0.2
Consensus LogP
0.26
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.96
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)
-3.35

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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