Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1211542-16-3 / 3-bromo-2-iodo-5-methylpyridine
3-bromo-2-iodo-5-methylpyridine | MFCD16610048 | 3-bromo-2-iodo-5-methyl-pyridine
Basic Information
CAS
1211542-16-3
Multi CAS
No
Molecular Formula
C6H5BrIN
Molecular Weight
297.920000
Exact Mass
296.865010
SMILES
CC1=CC(=C(N=C1)I)Br
InChI
InChI=1S/C6H5BrIN/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3
InChIKey
JACWOENAIROMAI-UHFFFAOYSA-N
Synonyms
3-bromo-2-iodo-5-methylpyridine
MFCD16610048
3-bromo-2-iodo-5-methyl-pyridine
SY459042
F76904
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
2.6
Consensus LogP
2.6
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
Customers Also Viewed
-
tert-Butyl 4-(5-hydroxypyridin-2-yl)piperazine-1-carboxylate
- CAS RN: 1211542-18-5
- Product Code: SSC-022748
-
3-BroMo-2-Methyl-5-(trifluoroMethyl)pyridine
- CAS RN: 1211542-21-0
- Product Code: SSC-022749
-
-
Rauvoyunine C
- CAS RN: 1211543-01-9
- Product Code: starshine_CAS1211543-01-9
- Purity/Analytical method: >99.0%
-
9,9-bis(3-bromophenyl)-9H-fluorene
- CAS RN: 1211547-22-6
- Product Code: starshine_CAS1211547-22-6
- Purity/Analytical method: >99.0%
-
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]–Cyclobutene-1,2-dione
- CAS RN: 1211565-07-9
- Product Code: SSC-022752
![CAS 1211565-07-9 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]–Cyclobutene-1,2-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1211565-07-9.gif)