CAS RN: 1057319-20-6
2-chloro-5-fluoroisonicotinonitrile
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.20250828 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1057319-20-6
- Purity/Analytical Methods: >99.0%
1057319-20-6 / 2-chloro-5-fluoropyridine-4-carbonitrile
2-CHLORO-5-FLUOROPYRIDINE-4-CARBONITRILE | RefChem:469337 | 846-048-3
Basic Information
CAS
1057319-20-6
Multi CAS
No
Molecular Formula
C6H2ClFN2
Molecular Weight
156.540000
Exact Mass
155.989054
SMILES
C1=C(C(=CN=C1Cl)F)C#N
InChI
InChI=1S/C6H2ClFN2/c7-6-1-4(2-9)5(8)3-10-6/h1,3H
InChIKey
HVJAFDBOVSRSBL-UHFFFAOYSA-N
Synonyms
2-CHLORO-5-FLUOROPYRIDINE-4-CARBONITRILE
RefChem:469337
846-048-3
2-chloro-5-fluoroisonicotinonitrile
SCHEMBL4319117
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
33.92
TPSA
36.68
LogP / Solubility
WLOGP
1.75
MLOGP
1.53
XLogP3
1.6
Consensus LogP
1.63
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-2.44
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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