CAS RN: 1309371-71-8
2-Chloro-5,6-difluoronicotinonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260608 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1309371-71-8
- Purity/Analytical Methods: >99.0%
1309371-71-8 / 2-chloro-5,6-difluoropyridine-3-carbonitrile
Basic Information
CAS
1309371-71-8
Multi CAS
No
Molecular Formula
C6HClF2N2
Molecular Weight
174.530000
Exact Mass
173.979632
SMILES
C1=C(C(=NC(=C1F)F)Cl)C#N
InChI
InChI=1S/C6HClF2N2/c7-5-3(2-10)1-4(8)6(9)11-5/h1H
InChIKey
KMPFYIMYUVTMOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
33.88
TPSA
36.68
LogP / Solubility
WLOGP
1.88
MLOGP
1.66
XLogP3
2.1
Consensus LogP
1.88
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately 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)
-2.45
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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