CAS RN: 1061357-87-6
6-Bromo-4-iodonicotinonitrile
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.20250916 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1061357-87-6
- Purity/Analytical Methods: >99.0%
1061357-87-6 / 6-bromo-4-iodopyridine-3-carbonitrile
6-Bromo-4-iodonicotinonitrile | 6-bromo-4-iodopyridine-3-carbonitrile | MFCD16657907
Basic Information
CAS
1061357-87-6
Multi CAS
No
Molecular Formula
C6H2BrIN2
Molecular Weight
308.900000
Exact Mass
307.844610
SMILES
C1=C(C(=CN=C1Br)C#N)I
InChI
InChI=1S/C6H2BrIN2/c7-6-1-5(8)4(2-9)3-10-6/h1,3H
InChIKey
XRYHZBZDOHCKFJ-UHFFFAOYSA-N
Synonyms
6-Bromo-4-iodonicotinonitrile
6-bromo-4-iodopyridine-3-carbonitrile
MFCD16657907
C6H2BrIN2
6-Bromo-4-iodo-nicotinonitrile
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
49.37
TPSA
36.68
LogP / Solubility
WLOGP
2.32
MLOGP
2.06
XLogP3
2.2
Consensus LogP
2.19
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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