[email protected]
CAS 1361058-62-9 6-amino-5-fluoronicotinonitrile molecular structure lightbox
CAS RN: 1361058-62-9

6-amino-5-fluoronicotinonitrile

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 50mg / 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1361058-62-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1361058-62-9 / 6-amino-5-fluoropyridine-3-carbonitrile

Standard CAS: 1361058-62-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1361058-62-9
Multi CAS
No
Molecular Formula
C6H4FN3
Molecular Weight
137.110000
Exact Mass
137.038925
SMILES
C1=C(C=NC(=C1F)N)C#N
InChI
InChI=1S/C6H4FN3/c7-5-1-4(2-8)3-10-6(5)9/h1,3H,(H2,9,10)
InChIKey
PXOJHQYYFBTYTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.32
TPSA
62.7

LogP / Solubility

WLOGP
0.67
MLOGP
0.59
XLogP3
0.3
Consensus LogP
0.52
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
Class (SILICOS-IT)
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)
-3.08

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us