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CAS 1054552-27-0 2-Chloro-4-fluoronicotinonitrile molecular structure lightbox
CAS RN: 1054552-27-0

2-Chloro-4-fluoronicotinonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251215 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-007193
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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: ＞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 1054552-27-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1054552-27-0 / 2-chloro-4-fluoropyridine-3-carbonitrile

2-Chloro-4-fluoronicotinonitrile | MFCD27996745 | 2-CHLORO-4-FLUOROPYRIDINE-3-CARBONITRILE

Standard CAS: 1054552-27-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1054552-27-0
Multi CAS
No
Molecular Formula
C6H2ClFN2
Molecular Weight
156.540000
Exact Mass
155.989054
SMILES
C1=CN=C(C(=C1F)C#N)Cl
InChI
InChI=1S/C6H2ClFN2/c7-6-4(3-9)5(8)1-2-10-6/h1-2H
InChIKey
XMUFUJWMNQTQML-UHFFFAOYSA-N
Synonyms
2-Chloro-4-fluoronicotinonitrile MFCD27996745 2-CHLORO-4-FLUOROPYRIDINE-3-CARBONITRILE 3-Pyridinecarbonitrile, 2-chloro-4-fluoro- SCHEMBL3081675

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
33.92
TPSA
36.68

LogP / Solubility

WLOGP
1.75
MLOGP
1.53
XLogP3
1.6
Consensus LogP
1.63
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-2.44

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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