CAS RN: 79623-38-4
2,3-DIBROMO-5-(TRIFLUOROMETHYL)PYRIDINE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS79623-38-4
- Purity/Analytical Methods: >99.0%
79623-38-4 / 2,3-dibromo-5-(trifluoromethyl)pyridine
Basic Information
CAS
79623-38-4
Multi CAS
Yes
Molecular Formula
C6H2BR2F3N
Molecular Weight
304.890000
Exact Mass
304.848560
InChI
InChI=1S/C6H2Br2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChIKey
BIDFUURRDIAINQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
44.64
TPSA
12.89
LogP / Solubility
WLOGP
3.63
MLOGP
3.2
XLogP3
3.5
Consensus LogP
3.44
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
