CAS RN: 1696887-81-6
2-bromo-5-(pyridin-2-ylmethoxy)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.20260130 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1696887-81-6
- Purity/Analytical Methods: >99.0%
1696887-81-6 / 2-bromo-5-(pyridin-2-ylmethoxy)pyridine
Basic Information
CAS
1696887-81-6
Multi CAS
No
Molecular Formula
C11H9BrN2O
Molecular Weight
265.110000
Exact Mass
263.989830
SMILES
C1=CC=NC(=C1)COC2=CN=C(C=C2)Br
InChI
InChI=1S/C11H9BrN2O/c12-11-5-4-10(7-14-11)15-8-9-3-1-2-6-13-9/h1-7H,8H2
InChIKey
ZTHRCHFCQBOMSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
60.51
TPSA
35.01
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.3
Consensus LogP
2.54
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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