CAS RN: 1210451-92-5
Methyl 6-broMo-5-Methylnicotinate
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.20260105 | 25mg / 100mg | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS1210451-92-5
- Purity/Analytical Methods: >99.0%
1210451-92-5 / methyl 6-bromo-5-methylpyridine-3-carboxylate
Methyl 6-bromo-5-methylnicotinate | methyl 6-bromo-5-methylpyridine-3-carboxylate | MFCD18258594
Basic Information
CAS
1210451-92-5
Multi CAS
No
Molecular Formula
C8H8BrNO2
Molecular Weight
230.060000
Exact Mass
228.973840
SMILES
CC1=CC(=CN=C1Br)C(=O)OC
InChI
InChI=1S/C8H8BrNO2/c1-5-3-6(8(11)12-2)4-10-7(5)9/h3-4H,1-2H3
InChIKey
PZHHVEKWOYHXMK-UHFFFAOYSA-N
Synonyms
Methyl 6-bromo-5-methylnicotinate
methyl 6-bromo-5-methylpyridine-3-carboxylate
MFCD18258594
SCHEMBL487571
methyl6-bromo-5-methylnicotinate
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
48.01
TPSA
39.19
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
2.1
Consensus LogP
1.92
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.75
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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