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CAS 109919-32-6 5-Bromo-4-trifluoromethyl-pyridin-2-ol molecular structure lightbox
CAS RN: 109919-32-6

5-Bromo-4-trifluoromethyl-pyridin-2-ol

  • Product code: SSC-011192
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 109919-32-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

109919-32-6 / 5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one

5-bromo-4-(trifluoromethyl)pyridin-2-ol | RefChem:533632 | 836-258-3

Standard CAS: 109919-32-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
109919-32-6
Multi CAS
Yes
Molecular Formula
C6H3BrF3NO
Molecular Weight
241.990000
Exact Mass
240.935010
SMILES
C1=C(C(=CNC1=O)Br)C(F)(F)F
InChI
InChI=1S/C6H3BrF3NO/c7-4-2-11-5(12)1-3(4)6(8,9)10/h1-2H,(H,11,12)
InChIKey
YTZVETQYEBOYJY-UHFFFAOYSA-N
Synonyms
5-bromo-4-(trifluoromethyl)pyridin-2-ol RefChem:533632 836-258-3 5-Bromo-4-trifluoromethyl-pyridin-2-ol 5-BROMO-2-HYDROXY-4-TRIFLUOROMETHYLPYRIDINE

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.76
TPSA
32.86

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
1.1
Consensus LogP
1.72
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-2.67

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 (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

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