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CAS 107504-07-4 2-Pyridinecarboxylicacid,5-fluoro-,methylester(9CI) molecular structure lightbox
CAS RN: 107504-07-4

2-Pyridinecarboxylicacid,5-fluoro-,methylester(9CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260425 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-009056
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 0.25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 107504-07-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Beijing Inquiry
5g >98% 5 In Stock Hong Kong Inquiry
10g >98% 5 In Stock Beijing Inquiry
25g >98% 5 In Stock Shenzhen Inquiry
0.25g >98% 3 In Stock Hong Kong Inquiry
100g >98% 1 In Stock Shanghai Inquiry

107504-07-4 / methyl 5-fluoropyridine-2-carboxylate

Methyl 5-Fluoropyridine-2-carboxylate | DTXSID00630088 | RefChem:817069

Standard CAS: 107504-07-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107504-07-4
Multi CAS
No
Molecular Formula
C7H6FNO2
Molecular Weight
155.130000
Exact Mass
155.038257
SMILES
COC(=O)C1=NC=C(C=C1)F
InChI
InChI=1S/C7H6FNO2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,1H3
InChIKey
KCMBKUFSDZMQEM-UHFFFAOYSA-N
Synonyms
Methyl 5-Fluoropyridine-2-carboxylate DTXSID00630088 RefChem:817069 DTXCID90580841 813-296-9

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
35.53
TPSA
39.19

LogP / Solubility

WLOGP
1.01
MLOGP
0.88
XLogP3
0.5
Consensus LogP
0.8
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-2.95

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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