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CAS 1256833-42-7 5-Fluoro-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile molecular structure lightbox
CAS RN: 1256833-42-7

5-Fluoro-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile

  • Product code: SSC-030869
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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 1256833-42-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1256833-42-7 / 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile

Standard CAS: 1256833-42-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256833-42-7
Multi CAS
No
Molecular Formula
C7H3FN4
Molecular Weight
162.120000
Exact Mass
162.034174
SMILES
C1=C(C=NC2=NNC(=C21)C#N)F
InChI
InChI=1S/C7H3FN4/c8-4-1-5-6(2-9)11-12-7(5)10-3-4/h1,3H,(H,10,11,12)
InChIKey
SJXRUKHJNKEFEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.56
TPSA
65.36

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
1
Consensus LogP
0.94
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.02

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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