CAS RN: 1003710-78-8
2-AMINO-5-BROMO-4-FLUORO-3-HYDROXYPYRIDINE
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.20250208 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1003710-78-8
- Purity/Analytical Methods: >99.0%
1003710-78-8 / 2-amino-5-bromo-4-fluoropyridin-3-ol
2-amino-5-bromo-4-fluoropyridin-3-ol | 2-AMINO-5-BROMO-4-FLUORO-3-HYDROXYPYRIDINE | 2-AMINO-3-HYDROXY-4-FLUORO-5-BROMOPYRIDINE
Basic Information
CAS
1003710-78-8
Multi CAS
No
Molecular Formula
C5H4BrFN2O
Molecular Weight
207.000000
Exact Mass
205.949100
SMILES
C1=C(C(=C(C(=N1)N)O)F)Br
InChI
InChI=1S/C5H4BrFN2O/c6-2-1-9-5(8)4(10)3(2)7/h1,10H,(H2,8,9)
InChIKey
ZFYFGNFGWVGBKM-UHFFFAOYSA-N
Synonyms
2-amino-5-bromo-4-fluoropyridin-3-ol
2-AMINO-5-BROMO-4-FLUORO-3-HYDROXYPYRIDINE
2-AMINO-3-HYDROXY-4-FLUORO-5-BROMOPYRIDINE
C5H4BrFN2O
SCHEMBL11708775
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
37.97
TPSA
59.14
LogP / Solubility
WLOGP
1.27
MLOGP
1.12
XLogP3
0.9
Consensus LogP
1.1
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
