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CAS 1426047-01-9 Pyridine, 2-(2,4-difluorophenyl)-5-fluoro- molecular structure lightbox
CAS RN: 1426047-01-9

Pyridine, 2-(2,4-difluorophenyl)-5-fluoro-

  • Product code: SSC-053382
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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: ＞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 1426047-01-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1426047-01-9 / 2-(2,4-difluorophenyl)-5-fluoropyridine

Standard CAS: 1426047-01-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1426047-01-9
Multi CAS
No
Molecular Formula
C11H6F3N
Molecular Weight
209.170000
Exact Mass
209.045234
SMILES
C1=CC(=C(C=C1F)F)C2=NC=C(C=C2)F
InChI
InChI=1S/C11H6F3N/c12-7-1-3-9(10(14)5-7)11-4-2-8(13)6-15-11/h1-6H
InChIKey
RKUQBAQVAGDVEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.55
TPSA
12.89

LogP / Solubility

WLOGP
3.17
MLOGP
2.79
XLogP3
2.8
Consensus LogP
2.92
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75

Drug-likeness / Medicinal Chemistry

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

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