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 | Hong Kong | Inquiry |
1160184-14-4 / 2,6-dibromo-4-iodopyridine
2,6-Dibromo-4-iodopyridine | MFCD13185521 | Pyridine, 2,6-dibromo-4-iodo-
Basic Information
CAS
1160184-14-4
Multi CAS
No
Molecular Formula
C5H2Br2IN
Molecular Weight
362.790000
Exact Mass
362.757820
SMILES
C1=C(C=C(N=C1Br)Br)I
InChI
InChI=1S/C5H2Br2IN/c6-4-1-3(8)2-5(7)9-4/h1-2H
InChIKey
RPLWQERFYBEHLW-UHFFFAOYSA-N
Synonyms
2,6-Dibromo-4-iodopyridine
MFCD13185521
Pyridine, 2,6-dibromo-4-iodo-
2,6-dibromo-4-iodo-pyridine
SCHEMBL1375846
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
52.35
TPSA
12.89
LogP / Solubility
WLOGP
3.21
MLOGP
2.85
XLogP3
3.6
Consensus LogP
3.22
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.65
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501
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