CAS RN: 914222-92-7
2-BROMO-5-NITRONICOTINIC ACID
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.20250725 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS914222-92-7
- Purity/Analytical Methods: >99.0%
914222-92-7 / 2-bromo-5-nitropyridine-3-carboxylic acid
Basic Information
CAS
914222-92-7
Multi CAS
No
Molecular Formula
BC6H3O4Rn2
Molecular Weight
247.000000
Exact Mass
245.927620
InChI
InChI=1S/C6H3BrN2O4/c7-5-4(6(10)11)1-3(2-8-5)9(12)13/h1-2H,(H,10,11)
InChIKey
TZALTHQYRONLQA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.55
TPSA
93.33
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
1.2
Consensus LogP
1.31
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
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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