CAS RN: 1805444-50-1
6-amino-2-bromonicotinic 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.20250403 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1805444-50-1
- Purity/Analytical Methods: >99.0%
1805444-50-1 / 6-amino-2-bromopyridine-3-carboxylic acid
Basic Information
CAS
1805444-50-1
Multi CAS
No
Molecular Formula
C6H5BrN2O2
Molecular Weight
217.020000
Exact Mass
215.953440
SMILES
C1=CC(=NC(=C1C(=O)O)Br)N
InChI
InChI=1S/C6H5BrN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)
InChIKey
HICQYDIVHYHIHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.31
TPSA
76.21
LogP / Solubility
WLOGP
1.12
MLOGP
0.99
XLogP3
1.1
Consensus LogP
1.07
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
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)
-3.25
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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