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CAS 1211534-53-0 2-Pyridinecarboxylic acid, 5-fluoro-6-methoxy- molecular structure lightbox
CAS RN: 1211534-53-0

2-Pyridinecarboxylic acid, 5-fluoro-6-methoxy-

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Batchno.20250419 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1211534-53-0
  • Purity/Analytical Methods: >99.0%
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1211534-53-0 / 5-fluoro-6-methoxypyridine-2-carboxylic acid

5-FLUORO-6-METHOXYPICOLINIC ACID | 5-FLUORO-6-METHOXYPYRIDINE-2-CARBOXYLIC ACID | 5-FLUORO-6-METHOXYPICOLINICACID

Standard CAS: 1211534-53-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211534-53-0
Multi CAS
No
Molecular Formula
C7H6FNO3
Molecular Weight
171.130000
Exact Mass
171.033171
SMILES
COC1=C(C=CC(=N1)C(=O)O)F
InChI
InChI=1S/C7H6FNO3/c1-12-6-4(8)2-3-5(9-6)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey
LBJRFCWLJLGCIV-UHFFFAOYSA-N
Synonyms
5-FLUORO-6-METHOXYPICOLINIC ACID 5-FLUORO-6-METHOXYPYRIDINE-2-CARBOXYLIC ACID 5-FLUORO-6-METHOXYPICOLINICACID 5-Fluoro-6-methoxy-2-pyridinecarboxylic acid MFCD13185872

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
1.1
Consensus LogP
0.95
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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