CAS RN: 1065483-59-1
6-broMo-3-iodo-2-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.20260421 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1065483-59-1
- Purity/Analytical Methods: >99.0%
1065483-59-1 / 6-bromo-3-iodo-2-methylpyridine
6-BROMO-3-IODO-2-METHYLPYRIDINE | DTXSID70670572 | RefChem:307500
Basic Information
CAS
1065483-59-1
Multi CAS
No
Molecular Formula
C6H5BrIN
Molecular Weight
297.920000
Exact Mass
296.865010
SMILES
CC1=C(C=CC(=N1)Br)I
InChI
InChI=1S/C6H5BrIN/c1-4-5(8)2-3-6(7)9-4/h2-3H,1H3
InChIKey
OAMMRCVVCVNSEN-UHFFFAOYSA-N
Synonyms
6-BROMO-3-IODO-2-METHYLPYRIDINE
DTXSID70670572
RefChem:307500
DTXCID10621321
975-265-7
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
49.39
TPSA
12.89
LogP / Solubility
WLOGP
2.76
MLOGP
2.44
XLogP3
2.9
Consensus LogP
2.7
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-2.58
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
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