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 |
1033203-47-2 / 2,5-dibromo-4-chloropyridine
2,5-DIBROMO-4-CHLOROPYRIDINE | MFCD11100661 | 2,5-Dibromo-4-chloro-pyridine
Basic Information
CAS
1033203-47-2
Multi CAS
No
Molecular Formula
C5H2Br2ClN
Molecular Weight
271.340000
Exact Mass
270.822200
SMILES
C1=C(C(=CN=C1Br)Br)Cl
InChI
InChI=1S/C5H2Br2ClN/c6-3-2-9-5(7)1-4(3)8/h1-2H
InChIKey
YDMJVRYOYZGRDT-UHFFFAOYSA-N
Synonyms
2,5-DIBROMO-4-CHLOROPYRIDINE
MFCD11100661
2,5-Dibromo-4-chloro-pyridine
2,5-Dibromo-4-chloropyridin
DTXSID90695540
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
44.65
TPSA
12.89
LogP / Solubility
WLOGP
3.26
MLOGP
2.88
XLogP3
3.2
Consensus LogP
3.11
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly 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)
-2.06
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)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
