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CAS 1261977-99-4 6-(4-Fluoro-3-Methoxyphenyl)picolinic acid molecular structure lightbox
CAS RN: 1261977-99-4

6-(4-Fluoro-3-Methoxyphenyl)picolinic acid

  • Product code: SSC-033052
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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 1261977-99-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1261977-99-4 / 6-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid

Standard CAS: 1261977-99-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261977-99-4
Multi CAS
No
Molecular Formula
C13H10FNO3
Molecular Weight
247.220000
Exact Mass
247.064471
SMILES
COC1=C(C=CC(=C1)C2=NC(=CC=C2)C(=O)O)F
InChI
InChI=1S/C13H10FNO3/c1-18-12-7-8(5-6-9(12)14)10-3-2-4-11(15-10)13(16)17/h2-7H,1H3,(H,16,17)
InChIKey
IWZVHUTZMULWDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.14
TPSA
59.42

LogP / Solubility

WLOGP
2.59
MLOGP
2.29
XLogP3
2.4
Consensus LogP
2.43
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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