CAS RN: 861018-86-2
3,5-Dibromopicolinamide
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.20260527 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
861018-86-2 / 3,5-dibromopyridine-2-carboxamide
3,5-Dibromopicolinamide | 3,5-dibromopyridine-2-carboxamide | CHEMBL4913656
Basic Information
CAS
861018-86-2
Multi CAS
No
Molecular Formula
C6H4BR2N2O
Molecular Weight
279.920000
Exact Mass
279.866990
SMILES
C1=C(C=NC(=C1Br)C(=O)N)Br
InChI
InChI=1S/C6H4Br2N2O/c7-3-1-4(8)5(6(9)11)10-2-3/h1-2H,(H2,9,11)
InChIKey
YLBBGQQDRRAVHJ-UHFFFAOYSA-N
Synonyms
3,5-Dibromopicolinamide
3,5-dibromopyridine-2-carboxamide
CHEMBL4913656
DTXSID30858657
LJB01886
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.15
TPSA
55.98
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
1.4
Consensus LogP
1.54
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
