CAS RN: 14547-73-0
N-(4-bromophenyl)picolinamide
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.20250521 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS14547-73-0
- Purity/Analytical Methods: >99.0%
14547-73-0 / N-(4-bromophenyl)pyridine-2-carboxamide
Basic Information
CAS
14547-73-0
Multi CAS
No
Molecular Formula
C12H9BrN2O
Molecular Weight
277.120000
Exact Mass
275.989830
SMILES
C1=CC=NC(=C1)C(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H9BrN2O/c13-9-4-6-10(7-5-9)15-12(16)11-3-1-2-8-14-11/h1-8H,(H,15,16)
InChIKey
RAJKUZRIZUSGKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.33
TPSA
41.99
LogP / Solubility
WLOGP
3.1
MLOGP
2.73
XLogP3
2.7
Consensus LogP
2.84
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
