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CAS 869640-44-8 2-BROMO-6-(2,2,2-TRIFLUOROETHOXY)PYRIDINE molecular structure lightbox
CAS RN: 869640-44-8

2-BROMO-6-(2,2,2-TRIFLUOROETHOXY)PYRIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250221 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: LINB888065
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869640-44-8 / 2-bromo-6-(2,2,2-trifluoroethoxy)pyridine

Standard CAS: 869640-44-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
869640-44-8
Multi CAS
No
Molecular Formula
BC7H5NORf3
Molecular Weight
256.020000
Exact Mass
254.950660
InChI
InChI=1S/C7H5BrF3NO/c8-5-2-1-3-6(12-5)13-4-7(9,10)11/h1-3H,4H2
InChIKey
LXODSNMLYAMXDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.49
TPSA
22.12

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
3.3
Consensus LogP
2.85
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-2.3

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

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