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CAS 1227579-04-5 2,3-difluoro-6-Methylpyridine molecular structure lightbox
CAS RN: 1227579-04-5

2,3-difluoro-6-Methylpyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250111 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-026076
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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: ＞97%
  • 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 1227579-04-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1227579-04-5 / 2,3-difluoro-6-methylpyridine

Standard CAS: 1227579-04-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227579-04-5
Multi CAS
No
Molecular Formula
C6H5F2N
Molecular Weight
129.110000
Exact Mass
129.039005
SMILES
CC1=NC(=C(C=C1)F)F
InChI
InChI=1S/C6H5F2N/c1-4-2-3-5(7)6(8)9-4/h2-3H,1H3
InChIKey
HGBWAUANMSZOIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
28.89
TPSA
12.89

LogP / Solubility

WLOGP
1.67
MLOGP
1.46
XLogP3
1.8
Consensus LogP
1.64
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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