CAS RN: 167683-72-9
2-Bromo-6-nitro-pyridin-3-ol
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.20260127 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS167683-72-9
- Purity/Analytical Methods: >99.0%
167683-72-9 / 2-bromo-6-nitropyridin-3-ol
Basic Information
CAS
167683-72-9
Multi CAS
No
Molecular Formula
C5H3BrN2O3
Molecular Weight
218.990000
Exact Mass
217.932700
SMILES
C1=CC(=NC(=C1O)Br)[N+](=O)[O-]
InChI
InChI=1S/C5H3BrN2O3/c6-5-3(9)1-2-4(7-5)8(10)11/h1-2,9H
InChIKey
GRTNGVHJAZEBEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.26
TPSA
76.26
LogP / Solubility
WLOGP
1.46
MLOGP
1.29
XLogP3
1.7
Consensus LogP
1.48
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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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