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CAS 1227563-22-5 2-chloro-6-fluoronicotinaldehyde molecular structure lightbox
CAS RN: 1227563-22-5

2-chloro-6-fluoronicotinaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251118 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-026004
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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: 1g
  • 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 1227563-22-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1227563-22-5 / 2-chloro-6-fluoropyridine-3-carbaldehyde

Standard CAS: 1227563-22-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227563-22-5
Multi CAS
No
Molecular Formula
C6H3ClFNO
Molecular Weight
159.540000
Exact Mass
158.988720
SMILES
C1=CC(=NC(=C1C=O)Cl)F
InChI
InChI=1S/C6H3ClFNO/c7-6-4(3-10)1-2-5(8)9-6/h1-3H
InChIKey
LVJGFCBDVHUDQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.59
TPSA
29.96

LogP / Solubility

WLOGP
1.69
MLOGP
1.48
XLogP3
1.7
Consensus LogP
1.62
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.5

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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