CAS RN: 1086838-46-1
5-Bromo-3-nitropyridine-2…
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260419 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-009991
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1086838-46-1 / 5-bromo-3-nitropyridine-2-carbaldehyde
5-BROMO-3-NITROPYRIDINE-2-CARBALDEHYDE | 5-Bromo-3-nitropicolinaldehyde | MFCD17016035
Basic Information
CAS
1086838-46-1
Multi CAS
No
Molecular Formula
C6H3BrN2O3
Molecular Weight
231.000000
Exact Mass
229.932700
SMILES
C1=C(C=NC(=C1[N+](=O)[O-])C=O)Br
InChI
InChI=1S/C6H3BrN2O3/c7-4-1-6(9(11)12)5(3-10)8-2-4/h1-3H
InChIKey
HDDQWSRCVIZQIJ-UHFFFAOYSA-N
Synonyms
5-BROMO-3-NITROPYRIDINE-2-CARBALDEHYDE
5-Bromo-3-nitropicolinaldehyde
MFCD17016035
C6H3BrN2O3
5-bromo-3-nitro-pyridine-2-carbaldehyde
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
43.98
TPSA
73.1
LogP / Solubility
WLOGP
1.56
MLOGP
1.38
XLogP3
1.2
Consensus LogP
1.38
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-3.02
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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