CAS RN: 1227577-18-5
6-fluoro-4-Methylpyridin-3-ol
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.20250615 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1227577-18-5
- Purity/Analytical Methods: >99.0%
1227577-18-5 / 6-fluoro-4-methylpyridin-3-ol
Basic Information
CAS
1227577-18-5
Multi CAS
No
Molecular Formula
C6H6FNO
Molecular Weight
127.120000
Exact Mass
127.043342
SMILES
CC1=CC(=NC=C1O)F
InChI
InChI=1S/C6H6FNO/c1-4-2-6(7)8-3-5(4)9/h2-3,9H,1H3
InChIKey
TUUUGYGFGFUHAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.6
TPSA
33.12
LogP / Solubility
WLOGP
1.23
MLOGP
1.08
XLogP3
1.3
Consensus LogP
1.2
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-2.62
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
