CAS RN: 1227509-42-3
4-Chloro-2-fluoro-6-Methylpyridine
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.20260520 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1227509-42-3
- Purity/Analytical Methods: >99.0%
1227509-42-3 / 4-chloro-2-fluoro-6-methylpyridine
Basic Information
CAS
1227509-42-3
Multi CAS
No
Molecular Formula
C6H5ClFN
Molecular Weight
145.560000
Exact Mass
145.009455
SMILES
CC1=CC(=CC(=N1)F)Cl
InChI
InChI=1S/C6H5ClFN/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3
InChIKey
JEHVOZRHAXDMPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
33.94
TPSA
12.89
LogP / Solubility
WLOGP
2.18
MLOGP
1.91
XLogP3
2.3
Consensus LogP
2.13
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.06
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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