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CAS 1211541-98-8 5-fluoro-4-methylpicolinonitrile molecular structure lightbox
CAS RN: 1211541-98-8

5-fluoro-4-methylpicolinonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-022744
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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 1211541-98-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1211541-98-8 / 5-fluoro-4-methylpyridine-2-carbonitrile

5-Fluoro-4-methylpicolinonitrile | MFCD18258187 | 5-fluoro-4-methylpyridine-2-carbonitrile

Standard CAS: 1211541-98-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211541-98-8
Multi CAS
No
Molecular Formula
C7H5FN2
Molecular Weight
136.130000
Exact Mass
136.043676
SMILES
CC1=CC(=NC=C1F)C#N
InChI
InChI=1S/C7H5FN2/c1-5-2-6(3-9)10-4-7(5)8/h2,4H,1H3
InChIKey
DUIFYTQUDNAJMI-UHFFFAOYSA-N
Synonyms
5-Fluoro-4-methylpicolinonitrile MFCD18258187 5-fluoro-4-methylpyridine-2-carbonitrile SCHEMBL16909257 DUIFYTQUDNAJMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
33.65
TPSA
36.68

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-2.56

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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