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CAS 1374659-37-6 3-(Difluoromethyl)-5-fluoro-pyridine molecular structure lightbox
CAS RN: 1374659-37-6

3-(Difluoromethyl)-5-fluoro-pyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251007 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-047093
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1374659-37-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1374659-37-6 / 3-(difluoromethyl)-5-fluoropyridine

Standard CAS: 1374659-37-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374659-37-6
Multi CAS
No
Molecular Formula
C6H4F3N
Molecular Weight
147.100000
Exact Mass
147.029584
SMILES
C1=C(C=NC=C1F)C(F)F
InChI
InChI=1S/C6H4F3N/c7-5-1-4(6(8)9)2-10-3-5/h1-3,6H
InChIKey
KRFIQWCTWWRYLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
29.15
TPSA
12.89

LogP / Solubility

WLOGP
2.16
MLOGP
1.89
XLogP3
1.6
Consensus LogP
1.88
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.08

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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