[email protected]
CAS 116548-03-9 2-Hydroxy-6-(trifluoromethyl)nicotinamide molecular structure lightbox
CAS RN: 116548-03-9

2-Hydroxy-6-(trifluoromethyl)nicotinamide

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250317 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250125 1g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250628 1g In stock Shanghai Inquiry
Batchno.20250412 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS116548-03-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

116548-03-9 / 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-Hydroxy-6-(trifluoromethyl)nicotinamide | DTXSID70379391 | RefChem:473306

Standard CAS: 116548-03-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116548-03-9
Multi CAS
Yes
Molecular Formula
C7H5F3N2O2
Molecular Weight
206.120000
Exact Mass
206.030312
SMILES
C1=C(C(=O)NC(=C1)C(F)(F)F)C(=O)N
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3(5(11)13)6(14)12-4/h1-2H,(H2,11,13)(H,12,14)
InChIKey
BZMWJLRKOIRLSU-UHFFFAOYSA-N
Synonyms
2-Hydroxy-6-(trifluoromethyl)nicotinamide DTXSID70379391 RefChem:473306 DTXCID20330417 671-166-5

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.58
TPSA
75.95

LogP / Solubility

WLOGP
0.49
MLOGP
0.43
XLogP3
0.7
Consensus LogP
0.54
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.63

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us