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CAS 82878-62-4 Pyridine, 4-(difluoromethyl)- (9CI) molecular structure lightbox
CAS RN: 82878-62-4

Pyridine, 4-(difluoromethyl)- (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS82878-62-4
  • Purity/Analytical Methods: >99.0%
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82878-62-4 / 4-(difluoromethyl)pyridine

Standard CAS: 82878-62-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82878-62-4
Multi CAS
No
Molecular Formula
C6F2H5N
Molecular Weight
129.110000
Exact Mass
129.039005
InChI
InChI=1S/C6H5F2N/c7-6(8)5-1-3-9-4-2-5/h1-4,6H
InChIKey
XPNKTOPRNGWNCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
29.19
TPSA
12.89

LogP / Solubility

WLOGP
2.02
MLOGP
1.77
XLogP3
1.5
Consensus LogP
1.76
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately 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)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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