[email protected]
CAS 1782667-42-8 5-Bromo-6-methylamino-nicotinonitrile molecular structure lightbox
CAS RN: 1782667-42-8

5-Bromo-6-methylamino-nicotinonitrile

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251204 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1782667-42-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1782667-42-8 / 5-bromo-6-(methylamino)pyridine-3-carbonitrile

Standard CAS: 1782667-42-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1782667-42-8
Multi CAS
No
Molecular Formula
C7H6BrN3
Molecular Weight
212.050000
Exact Mass
210.974510
SMILES
CNC1=C(C=C(C=N1)C#N)Br
InChI
InChI=1S/C7H6BrN3/c1-10-7-6(8)2-5(3-9)4-11-7/h2,4H,1H3,(H,10,11)
InChIKey
SBIYLNIKMYIRGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.2
TPSA
48.71

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
1.6
Consensus LogP
1.64
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us