CAS RN: 1196156-67-8
2-Amino-6-bromo-pyridine-3-carbaldehyde
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.20260303 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1196156-67-8
- Purity/Analytical Methods: >99.0%
1196156-67-8 / 2-amino-6-bromopyridine-3-carbaldehyde
2-AMINO-6-BROMONICOTINALDEHYDE | 2-AMINO-6-BROMO-PYRIDINE-3-CARBALDEHYDE | 2-amino-6-bromopyridine-3-carbaldehyde
Basic Information
CAS
1196156-67-8
Multi CAS
No
Molecular Formula
C6H5BrN2O
Molecular Weight
201.020000
Exact Mass
199.958530
SMILES
C1=CC(=NC(=C1C=O)N)Br
InChI
InChI=1S/C6H5BrN2O/c7-5-2-1-4(3-10)6(8)9-5/h1-3H,(H2,8,9)
InChIKey
PDUINDAMJWUPTI-UHFFFAOYSA-N
Synonyms
2-AMINO-6-BROMONICOTINALDEHYDE
2-AMINO-6-BROMO-PYRIDINE-3-CARBALDEHYDE
2-amino-6-bromopyridine-3-carbaldehyde
3-Pyridinecarboxaldehyde, 2-amino-6-bromo-
MFCD13190076
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.74
TPSA
55.98
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
1.5
Consensus LogP
1.28
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-3.07
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
Customers Also Viewed
-
-
5-BroMo-2-(trifluoroMethyl)-4-hydroxypyridine
- CAS RN: 1196156-74-7
- Product Code: SSC-020281
-
-
-
3-CHLORO-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-5-ONE
- CAS RN: 1196156-82-7
- Product Code: starshine_CAS1196156-82-7
- Purity/Analytical method: >99.0%
-
![CAS 1196156-78-1 3-Chloro-6,7-dihydro-[1]pyrindin-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196156-78-1.gif)
![CAS 1196156-82-7 3-CHLORO-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-5-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196156-82-7.gif)
