CAS RN: 1185319-98-5
3-Bromo-2-fluoro-5-(methyl-d3)-pyridine
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.20260524 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB889864
1185319-98-5 / 3-bromo-2-fluoro-5-(trideuteriomethyl)pyridine
3-Bromo-2-fluoro-5-(methyl-d3)-pyridine | AKOS015944206 | 3-Bromo-2-fluoro-5-(methyl-d3)pyridine
Basic Information
CAS
1185319-98-5
Multi CAS
No
Molecular Formula
C6H5BrFN
Molecular Weight
193.030000
Exact Mass
191.977770
SMILES
[2H]C([2H])([2H])C1=CC(=C(N=C1)F)Br
InChI
InChI=1S/C6H5BrFN/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3/i1D3
InChIKey
FWKQBHMQYXTOTD-FIBGUPNXSA-N
Synonyms
3-Bromo-2-fluoro-5-(methyl-d3)-pyridine
AKOS015944206
3-Bromo-2-fluoro-5-(methyl-d3)pyridine
CS-17687
F92439
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
36.63
TPSA
12.89
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.3
Consensus LogP
2.2
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.25
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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