CAS RN: 1228897-77-5
(5-broMo-6-fluoropyridin-3-yl)Methanol
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.20250629 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1228897-77-5
- Purity/Analytical Methods: >99.0%
1228897-77-5 / (5-bromo-6-fluoro-3-pyridinyl)methanol
Basic Information
CAS
1228897-77-5
Multi CAS
No
Molecular Formula
C6H5BrFNO
Molecular Weight
206.010000
Exact Mass
204.953850
SMILES
C1=C(C=NC(=C1Br)F)CO
InChI
InChI=1S/C6H5BrFNO/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2
InChIKey
QHFKPUWCUGFQJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.82
TPSA
33.12
LogP / Solubility
WLOGP
1.48
MLOGP
1.3
XLogP3
1.1
Consensus LogP
1.29
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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