CAS RN: 1060810-63-0
4-BROMO-6-(TRIFLUOROMETHYL)NICOTINALDEHYDE
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.20251102 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1060810-63-0
- Purity/Analytical Methods: >99.0%
1060810-63-0 / 4-bromo-6-(trifluoromethyl)pyridine-3-carbaldehyde
Basic Information
CAS
1060810-63-0
Multi CAS
No
Molecular Formula
C7H3BrF3NO
Molecular Weight
254.000000
Exact Mass
252.935010
SMILES
C1=C(C(=CN=C1C(F)(F)F)C=O)Br
InChI
InChI=1S/C7H3BrF3NO/c8-5-1-6(7(9,10)11)12-2-4(5)3-13/h1-3H
InChIKey
QVZVEWCPNLENSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.33
TPSA
29.96
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
1.9
Consensus LogP
2.31
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4-Bromo-6-(trifluoromethyl)nicotinic acid
- CAS RN: 1060810-71-0
- Product Code: starshine_CAS1060810-71-0
- Purity/Analytical method: >99.0%
-
-
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)
