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CAS 1245647-61-3 Methyl5-fluoro-6-methylpicolinate molecular structure lightbox
CAS RN: 1245647-61-3

Methyl5-fluoro-6-methylpicolinate

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251231 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251106 50mg / 200mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-028475
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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 1245647-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1245647-61-3 / methyl 5-fluoro-6-methylpyridine-2-carboxylate

Standard CAS: 1245647-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1245647-61-3
Multi CAS
No
Molecular Formula
C8H8FNO2
Molecular Weight
169.150000
Exact Mass
169.053907
SMILES
CC1=C(C=CC(=N1)C(=O)OC)F
InChI
InChI=1S/C8H8FNO2/c1-5-6(9)3-4-7(10-5)8(11)12-2/h3-4H,1-2H3
InChIKey
IZTDWPKQBPEJHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.27
TPSA
39.19

LogP / Solubility

WLOGP
1.32
MLOGP
1.15
XLogP3
1.5
Consensus LogP
1.32
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-2.82

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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