[email protected]
CAS 1227515-32-3 6-Amino-2-trifluoromethyl-pyridin-3-ol molecular structure lightbox
CAS RN: 1227515-32-3

6-Amino-2-trifluoromethyl-pyridin-3-ol

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250703 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260515 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250506 250mg In stock Tianjin Inquiry
Batchno.20250315 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1227515-32-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1227515-32-3 / 6-amino-2-(trifluoromethyl)pyridin-3-ol

Standard CAS: 1227515-32-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227515-32-3
Multi CAS
No
Molecular Formula
C6H5F3N2O
Molecular Weight
178.110000
Exact Mass
178.035397
SMILES
C1=CC(=NC(=C1O)C(F)(F)F)N
InChI
InChI=1S/C6H5F3N2O/c7-6(8,9)5-3(12)1-2-4(10)11-5/h1-2,12H,(H2,10,11)
InChIKey
FZOCOQLLNZJMPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
2
Molar refractivity
35.32
TPSA
59.14

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.1
Consensus LogP
1.24
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
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)
-2.82

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us