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CAS 1060806-71-4 4-FLUORO-2-METHOXYNICOTINIC ACID molecular structure lightbox
CAS RN: 1060806-71-4

4-FLUORO-2-METHOXYNICOTINIC ACID

  • Product code: SSC-007793
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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: 0.25g, 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 1060806-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1060806-71-4 / 4-fluoro-2-methoxypyridine-3-carboxylic acid

4-FLUORO-2-METHOXYNICOTINIC ACID | MFCD13188735 | 4-FLUORO-2-METHOXYPYRIDINE-3-CARBOXYLIC ACID

Standard CAS: 1060806-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060806-71-4
Multi CAS
No
Molecular Formula
C7H6FNO3
Molecular Weight
171.130000
Exact Mass
171.033171
SMILES
COC1=NC=CC(=C1C(=O)O)F
InChI
InChI=1S/C7H6FNO3/c1-12-6-5(7(10)11)4(8)2-3-9-6/h2-3H,1H3,(H,10,11)
InChIKey
ORHZNDYRRYQHDK-UHFFFAOYSA-N
Synonyms
4-FLUORO-2-METHOXYNICOTINIC ACID MFCD13188735 4-FLUORO-2-METHOXYPYRIDINE-3-CARBOXYLIC ACID SCHEMBL25068658 AKOS023833005

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.71
TPSA
59.42

LogP / Solubility

WLOGP
0.93
MLOGP
0.81
XLogP3
0.8
Consensus LogP
0.85
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.11

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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