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CAS 1196153-82-8 5-Amino-2-(trifluoromethyl)pyridin-4-ol, 4-Hydroxy-6-(trifluoromethyl)pyridin-3-amine molecular structure lightbox
CAS RN: 1196153-82-8

5-Amino-2-(trifluoromethyl)pyridin-4-ol, 4-Hydroxy-6-(trifluoromethyl)pyridin-3-amine

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3 package records0 with current stock2 grade groups
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Batchno.20250915 100mg / 250mg Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS1196153-82-8
  • Purity/Analytical Methods: >99.0%
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1196153-82-8 / 5-amino-2-(trifluoromethyl)-1H-pyridin-4-one

5-amino-2-(trifluoromethyl)pyridin-4-ol | 5-amino-2-(trifluoromethyl)-1H-pyridin-4-one | 5-Amino-4-hydroxy-2-(trifluoromethyl)pyridine

Standard CAS: 1196153-82-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196153-82-8
Multi CAS
No
Molecular Formula
C6H5F3N2O
Molecular Weight
178.110000
Exact Mass
178.035397
SMILES
C1=C(NC=C(C1=O)N)C(F)(F)F
InChI
InChI=1S/C6H5F3N2O/c7-6(8,9)5-1-4(12)3(10)2-11-5/h1-2H,10H2,(H,11,12)
InChIKey
HGRBXDHMWGUDPV-UHFFFAOYSA-N
Synonyms
5-amino-2-(trifluoromethyl)pyridin-4-ol 5-amino-2-(trifluoromethyl)-1H-pyridin-4-one 5-Amino-4-hydroxy-2-(trifluoromethyl)pyridine 4-Pyridinol, 5-amino-2-(trifluoromethyl)- MFCD13189822

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.48
TPSA
58.88

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
0.6
Consensus LogP
0.81
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-3.11

Drug-likeness / Medicinal Chemistry

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

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