CAS RN: 1060810-71-0
4-Bromo-6-(trifluoromethyl)nicotinic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250312 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1060810-71-0
- Purity/Analytical Methods: >99.0%
1060810-71-0 / 4-bromo-6-(trifluoromethyl)pyridine-3-carboxylic acid
Basic Information
CAS
1060810-71-0
Multi CAS
No
Molecular Formula
C7H3BrF3NO2
Molecular Weight
270.000000
Exact Mass
268.929930
SMILES
C1=C(C(=CN=C1C(F)(F)F)C(=O)O)Br
InChI
InChI=1S/C7H3BrF3NO2/c8-4-1-5(7(9,10)11)12-2-3(4)6(13)14/h1-2H,(H,13,14)
InChIKey
LWVCDUWLIWOLBB-UHFFFAOYSA-N
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
1
Molar refractivity
43.9
TPSA
50.19
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
2
Consensus LogP
2.27
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): 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
-
-
1-(2-(trifluoroMethyl)pyridin-4-yl)ethanone
- CAS RN: 1060810-86-7
- Product Code: SSC-007821
-
Ethanone, 1-[2-chloro-6-(trifluoroMethyl)-4-pyridinyl]-
- CAS RN: 1060810-89-0
- Product Code: SSC-007822
-
1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropane-1-carboxylic acid
- CAS RN: 1060811-01-9
- Product Code: SSC-007823
-
-
![CAS 1060810-89-0 Ethanone, 1-[2-chloro-6-(trifluoroMethyl)-4-pyridinyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1060810-89-0.gif)
