CAS RN: 130897-00-6
2-(6-bromopyridin-2-yl)-6-methylpyridine
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.20250210 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB888183
130897-00-6 / 2-bromo-6-(6-methyl-2-pyridinyl)pyridine
Basic Information
CAS
130897-00-6
Multi CAS
No
Molecular Formula
C11H9BrN2
Molecular Weight
249.110000
Exact Mass
247.994910
SMILES
CC1=NC(=CC=C1)C2=NC(=CC=C2)Br
InChI
InChI=1S/C11H9BrN2/c1-8-4-2-5-9(13-8)10-6-3-7-11(12)14-10/h2-7H,1H3
InChIKey
NXGNPPRIURACGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
59.91
TPSA
25.78
LogP / Solubility
WLOGP
3.21
MLOGP
2.83
XLogP3
2.9
Consensus LogP
2.98
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-1.96
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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