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CAS 727736-71-2 2-Pyridinecarbonitrile,6-fluoro-3-hydroxy-(9CI) molecular structure lightbox
CAS RN: 727736-71-2

2-Pyridinecarbonitrile,6-fluoro-3-hydroxy-(9CI)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251008 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS727736-71-2
  • Purity/Analytical Methods: >99.0%
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727736-71-2 / 6-fluoro-3-hydroxypyridine-2-carbonitrile

Standard CAS: 727736-71-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
727736-71-2
Multi CAS
No
Molecular Formula
C6FH3N2O
Molecular Weight
138.100000
Exact Mass
138.022941
InChI
InChI=1S/C6H3FN2O/c7-6-2-1-5(10)4(3-8)9-6/h1-2,10H
InChIKey
NUGSGNAJEWFMMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.57
TPSA
56.91

LogP / Solubility

WLOGP
0.8
MLOGP
0.69
XLogP3
1.5
Consensus LogP
1
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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

Drug-likeness / Medicinal Chemistry

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

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