CAS RN: 1196157-21-7
6-BroMo-3-chloroMethyl-2-Methyl-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.20250909 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1196157-21-7
- Purity/Analytical Methods: >99.0%
1196157-21-7 / 6-bromo-3-(chloromethyl)-2-methylpyridine
6-BROMO-3-(CHLOROMETHYL)-2-METHYLPYRIDINE | 6-BroMo-3-chloroMethyl-2-Methyl-pyridine | MFCD13189895
Basic Information
CAS
1196157-21-7
Multi CAS
No
Molecular Formula
C7H7BrClN
Molecular Weight
220.490000
Exact Mass
218.945040
SMILES
CC1=C(C=CC(=N1)Br)CCl
InChI
InChI=1S/C7H7BrClN/c1-5-6(4-9)2-3-7(8)10-5/h2-3H,4H2,1H3
InChIKey
SXCIMAOSPFEAAJ-UHFFFAOYSA-N
Synonyms
6-BROMO-3-(CHLOROMETHYL)-2-METHYLPYRIDINE
6-BroMo-3-chloroMethyl-2-Methyl-pyridine
MFCD13189895
AB69339
6-bromo-3-(chloromethyl)-2-methyl-pyridine
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.23
TPSA
12.89
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
2.7
Consensus LogP
2.71
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly 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)
-2.01
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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